SCHEMBL18440540

SCHEMBL18440540

CN(C)Cc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)n[nH]c3cn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 18/20 1.00
DYRK1A Q13627 18/20 1.00
CLK3 P49761 17/20 1.00
WNT1 P04628 3/20 0.66
TGFBR1 P36897 1/20 0.66

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
SCHEMBL18443324 0.91 CLK2 (0.83) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18440578 0.91 CLK2 (0.83) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20422941 0.90 CLK2 (0.81) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20437268 0.89 CLK2 (0.81) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20452295 0.89 CLK2 (0.81) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18485094 0.89 CLK2 (1.00) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20422962 0.89 CLK2 (0.79) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18451559 0.89 CLK2 (0.79) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18440201 0.88 CLK2 (0.79) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18478379 0.88 CLK2 (0.79) CLK2DYRK1ACLK3WNT1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206908-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-02-19 US claimed
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-02 US claimed
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 claimed
US-20230000842-A1 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-01-05 US disclosed
US-10206908-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-02-19 US disclosed
US-10206908-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-02-19 US disclosed
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-02 US disclosed
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-02 US disclosed
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-02 US 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
US-20160060263-A1 PYRAZINOISOQUINOLINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. 2016-03-03 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 (4 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-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A CLK2 2022/4885DYRK1A 802/4885CLK3 1946/4885
US-10206908-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT3, WNT1, WNT3A CLK2 2022/4885DYRK1A 802/4885CLK3 1946/4885
US-20160060263-A1 PYRAZINOISOQUINOLINE COMPOUNDS P2RX5, ABCC5, ABCC2 CLK2 4371/4885DYRK1A 3921/4885CLK3 4269/4885
US-20230000842-A1 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK CLK2, CLK3, CLK1 CLK2 1/4885DYRK1A 7/4885CLK3 2/4885

“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.