SCHEMBL19005173

SCHEMBL19005173

Cn1ccc(-c2ccc(N)c(NO)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
PIK3CD O00329 1/20 0.47
PIP5K1C O60331 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
KMT2A Q03164 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP19A1 P11511 1/20 0.41
SCN4A P35499 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
P2RX7 Q99572 1/20 0.36
DYRK1A Q13627 1/20 0.36
HDAC3 O15379 2/20 0.35

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
SCHEMBL18985959 0.80 KEAP1 (0.63) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL14259444 0.79 KEAP1 (0.58) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL23653343 0.78 HDAC2 (0.46) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL6248507 0.77 KEAP1 (0.59) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL6261817 0.76 KEAP1 (0.58) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL25258347 0.76 KEAP1 (0.58) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL12491752 0.76 KEAP1 (0.58) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL1245940 0.75 CYP3A4 (0.48) KMT2AHDAC1HDAC2HDAC3
SCHEMBL19005034 0.74 HDAC1 (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3346678 0.73 KEAP1 (0.59) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 KEAP1 1877/4885PIK3CD 455/4885PIP5K1C 1642/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 KEAP1 1877/4885PIK3CD 455/4885PIP5K1C 1642/4885

“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.