SCHEMBL17562439

SCHEMBL17562439

CC(C)c1cc(F)cc(OCCN2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.63
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ PSMB1 P20618 1/20 0.54
▸ PSMB5 P28074 1/20 0.54
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LTA4H P09960 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FLT3 P36888 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20877797 0.88 MEN1 (0.54) KDM4EMEN1KMT2ASMN1; SMN2LTA4H
SCHEMBL17571469 0.81 KDM4E (0.56) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL18474533 0.78 KDM4E (0.63) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL11977008 0.78 KDM4E (0.63) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL18480195 0.78 LTA4H (0.55) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL18474438 0.78 LTA4H (0.55) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL17555438 0.78 LTA4H (0.55) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL11977007 0.77 MEN1 (0.85) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL4547947 0.77 KDM4E (0.62) KDM4EMEN1KMT2APSMB1PSMB5
SCHEMBL21894124 0.77 ALDH1A1 (0.39) KDM4EHTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463651-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-11-05 — — US disclosed
US-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-08-27 — — US disclosed
US-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-07-16 — — US disclosed
US-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — US disclosed
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 — — US disclosed
US-20190119276-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2019-04-25 — — US disclosed
US-20190119303-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-04-25 — — US disclosed
US-10231956-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1 H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-19 — — US disclosed
US-10226448-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 — — US disclosed
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 — — US disclosed
WO-2017024025-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF KC SUNIL KUMAR (US) 2017-02-09 — — WO disclosed
WO-2017023984-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023996-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017024004-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
US-9546185-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-01-17 — — US disclosed
US-9475825-B2 3-(3H-imidazo[4,5-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2016-10-25 — — US disclosed
US-20160068529-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2016-03-10 — — US disclosed
US-20160068551-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2016-03-10 — — US disclosed
US-20160068548-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2016-03-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190119303-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A KDM4E 831/4885MEN1 4212/4885KMT2A 3117/4885
US-20160068529-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A KDM4E 1207/4885MEN1 4333/4885KMT2A 3583/4885
US-10463651-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A KDM4E 2805/4885MEN1 4431/4885KMT2A 4496/4885
US-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A KDM4E 610/4885MEN1 4394/4885KMT2A 3108/4885
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A KDM4E 1156/4885MEN1 4489/4885KMT2A 3456/4885
US-20160068548-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A KDM4E 840/4885MEN1 4196/4885KMT2A 3204/4885
US-10226448-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof WNT1, WNT3A, WNT3 KDM4E 1121/4885MEN1 4495/4885KMT2A 3691/4885
US-10231956-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1 H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A KDM4E 995/4885MEN1 4389/4885KMT2A 3508/4885
US-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A KDM4E 2819/4885MEN1 4470/4885KMT2A 4456/4885
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A KDM4E 1006/4885MEN1 4420/4885KMT2A 3210/4885
US-20160068551-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A KDM4E 834/4885MEN1 4206/4885KMT2A 3184/4885
US-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof WNT1, WNT3A, WNT3 KDM4E 1134/4885MEN1 4518/4885KMT2A 3600/4885
US-20190119276-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A KDM4E 1207/4885MEN1 4333/4885KMT2A 3583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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