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
SCHEMBL9502145 0.76 PARP1 (0.59) PARP1TNKS2NOS1CA12CA9
SCHEMBL1013611 0.76 PARP1 (0.46) PARP1TNKS2NPC1RAB9ASMN1; SMN2

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.

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