SCHEMBL3490386

SCHEMBL3490386

COc1cccc(-c2cccc(N)c2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.54
▸ CYP3A4 P08684 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ADORA2A P29274 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A1 P04798 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2E1 P05181 2/20 0.47
▸ CYP2C8 P10632 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP4B1 P13584 2/20 0.47
▸ CYP2B6 P20813 2/20 0.47
▸ CYP3A5 P20815 2/20 0.47
▸ CYP2A7 P20853 2/20 0.47
▸ CYP3A7 P24462 2/20 0.47
▸ CYP2F1 P24903 2/20 0.47

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
SCHEMBL30785681 0.87 TDO2 (0.55) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL396757 0.87 TDO2 (0.55) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL28184418 0.84 CYP3A4 (0.54) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL29132921 0.83 TDO2 (0.51) TDO2CYP3A4ALDH1A1ADORA2AADORA1
Hydrochloric Acid SCHEMBL31425163 0.83 CYP3A4 (0.53) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL3491387 0.81 ABL1 (0.52) CYP3A4ALDH1A1KDM4EKMT2AMAPT
SCHEMBL9003875 0.81 TDO2 (0.50) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL2020140 0.81 ABL1 (0.59) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL18439119 0.80 TDO2 (0.56) TDO2CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL17556326 0.80 ABL1 (0.44) TDO2CYP3A4ALDH1A1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2017023989-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023989-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 — — 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 (2 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-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A TDO2 1718/4885CYP3A4 1800/4885ALDH1A1 817/4885
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A TDO2 3314/4885CYP3A4 3708/4885ALDH1A1 4612/4885

“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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