SCHEMBL9502126

SCHEMBL9502126

Cc1nc2cccc(Br)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.44
TNKS2 Q9H2K2 1/20 0.43
NOS1 P29475 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CSNK2A1 P68400 1/20 0.39
CDK9 P50750 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
DYRK2 Q92630 1/20 0.39
BACE1 P56817 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL31033488 0.79 PARP1 (0.56) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL353892 0.79 PARP1 (0.56) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL248855 0.79 NOS1 (0.44) NOS1CA12CA9CSNK2A1CDK9
SCHEMBL14764904 0.78 CA12 (0.43) PARP1TNKS2NOS1CA12CA9
Bromide SCHEMBL5318093 0.78 PARP1 (0.55) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL5142221 0.76 PARP1 (0.59) PARP1TNKS2CA12CA9NPC1
SCHEMBL20479323 0.76 PDPK1 (0.43) PARP1NOS1CA12CA9CDK9
SCHEMBL22011133 0.76 CSNK2A1 (0.39) PARP1TNKS2CSNK2A1NPC1RAB9A
SCHEMBL9305370 0.76 NOS1 (0.41) NOS1CA12CA9CDK9DYRK1A
SCHEMBL9502145 0.76 PARP1 (0.59) PARP1TNKS2NOS1CA12CA9

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
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 WO disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
CN-103040815-B Application of 2,4,6-triisopropylbenzene compounds in preparation of medicines for treating diabetes SHANGHAI INST MATERIA MEDICA 2014-12-10 CN disclosed
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R PARP1 1463/4885TNKS2 4434/4885NOS1 1630/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R PARP1 1475/4885TNKS2 4246/4885NOS1 1789/4885

“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.