SCHEMBL900402

SCHEMBL900402

COc1ccncc1-c1cccc2[nH]cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.58
AURKA O14965 2/20 0.45
JAK2 O60674 2/20 0.45
RPS6KA2 Q15349 1/20 0.45
PDE5A O76074 4/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
RET P07949 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA2 P47869 1/20 0.40
ABL1 P00519 1/20 0.40
RAD52 P43351 1/20 0.40
RIN1 Q13671 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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 0.81 CYP17A1 (0.50) BRD4CYP1A2
SCHEMBL900109 0.78 CYP17A1 (0.48) BRD4AURKAJAK2RETABL1
SCHEMBL27151824 0.78 PARP1 (0.42) BRD4AURKAJAK2RPS6KA2ABL1
SCHEMBL20878376 0.76 BRD4 (0.56) BRD4AURKAJAK2RPS6KA2ABL1
SCHEMBL10140 0.75 BRD4 (0.60) BRD4AURKAJAK2RPS6KA2HTR2A
SCHEMBL30663518 0.73 BRD4 (1.00) BRD4AURKAJAK2RPS6KA2HTR2A
SCHEMBL29109173 0.73 BRD4 (1.00) BRD4AURKAJAK2RPS6KA2HTR2A
SCHEMBL900129 0.72 BRD4 (0.45) BRD4AURKAJAK2RPS6KA2RET
SCHEMBL29960424 0.72 QPCT (0.51) BRD4ABL1GSK3BCYP1A2CYP2E1
SCHEMBL27143869 0.72 QPCT (0.51) BRD4ABL1GSK3BCYP1A2CYP2E1

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 BRD4 932/4885AURKA 2926/4885JAK2 957/4885

“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.