SCHEMBL18440922

SCHEMBL18440922

CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3cccs3)ccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.39
▸ GBA1 P04062 2/20 0.38
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ DHFR P00374 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ NR1H2 P55055 3/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.32
▸ BAZ2A Q9UIF9 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL18443198 0.82 NR1H2 (0.39) GBA1GABRG2GABRB3GABRA5GABRA1
SCHEMBL18437151 0.82 GBA1 (0.38) TOP2AGBA1GABRG2GABRB3GABRA5
SCHEMBL18440904 0.81 NR1H2 (0.39) GABRG2GABRB3GABRA5GPR119NR1H2
SCHEMBL18448764 0.80 KIT (0.42) GBA1GABRG2GABRB3GABRA5GPR119
SCHEMBL18440803 0.80 TOP2A (0.41) TOP2ANR1H2HCRTR1HCRTR2
SCHEMBL18446927 0.80 GBA1 (0.38) GBA1GABRG2GABRB3GABRA5GABRA1
SCHEMBL18440823 0.79 GRIA1 (0.37) GABRG2GABRB3GABRA5NR1H2
SCHEMBL18440860 0.79 TOP2A (0.38) TOP2AGABRG2GABRB3GABRA5GABRA1
SCHEMBL18441089 0.75 IDE (0.37) GPR119
SCHEMBL18441651 0.74 CHKA (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-10206909-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-02-19 — — US disclosed
US-10206909-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-02-19 — — US disclosed
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — US disclosed
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — US disclosed
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — US 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
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-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-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
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-2017024021-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES 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

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

For each of this compound's patents that has machine-readable text (5 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-10206909-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A TOP2A 3649/4885GBA1 4499/4885GABRG2 4264/4885
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 TOP2A 3513/4885GBA1 4515/4885GABRG2 4382/4885
US-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A TOP2A 3562/4885GBA1 3960/4885GABRG2 4550/4885
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A TOP2A 3562/4885GBA1 3960/4885GABRG2 4550/4885
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 TOP2A 3602/4885GBA1 4484/4885GABRG2 4259/4885

“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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