SCHEMBL900109

SCHEMBL900109

Clc1ccncc1-c1cccc2[nH]cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.48
BRD4 O60885 2/20 0.42
PARP1 P09874 2/20 0.39
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
ABL1 P00519 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 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
SCHEMBL903194 0.82 CYP17A1 (0.50) CYP17A1BRD4BTK
SCHEMBL27151824 0.82 PARP1 (0.42) BRD4PARP1ABL1AURKAJAK2
SCHEMBL20878376 0.80 BRD4 (0.56) BRD4PARP1ABL1AURKAJAK2
SCHEMBL900402 0.78 BRD4 (0.58) BRD4GSK3BABL1AURKAJAK2
SCHEMBL27143869 0.75 QPCT (0.51) BRD4PARP1GSK3BDYRK1AABL1
SCHEMBL29960424 0.75 QPCT (0.51) BRD4PARP1GSK3BDYRK1AABL1
SCHEMBL900129 0.73 BRD4 (0.45) CYP17A1BRD4PARP1ABL1AURKA
SCHEMBL196738 0.73 PARP1 (0.56) BRD4PARP1GSK3BDYRK1AABL1
SCHEMBL2942923 0.72 CDC25B (0.50) CYP17A1GSK3BDYRK1ARPS6KA3LIMK1
SCHEMBL30350188 0.72 CDC25B (0.50) CYP17A1GSK3BDYRK1ARPS6KA3LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
EP-2621913-B1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
EP-2621913-B1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-21 US disclosed
US-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-21 US disclosed
EP-2621913-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 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 (1 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-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS CYP3A43, CYP2C18, CYP3A7 CYP17A1 40/4885BRD4 932/4885PARP1 2308/4885

“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.