SCHEMBL18985672

SCHEMBL18985672

COc1ccc(-c2ccc(N)c(N)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.56
PIK3CD O00329 1/20 0.56
PIP5K1C O60331 1/20 0.56
PIK3CB P42338 1/20 0.56
PI4KA P42356 1/20 0.56
PIK3CG P48736 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
CYP2A6 P11509 2/20 0.51
FYN P06241 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
ADORA2A P29274 1/20 0.49

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
SCHEMBL24195783 0.85 ERN1 (0.53) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL3082554 0.85 PIK3CA (0.52) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL12492276 0.85 ALDH1A1 (0.53) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL3754419 0.82 CYP2A6 (0.68) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL31174412 0.82 CYP2A6 (0.68) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL4443149 0.81 PIK3CD (0.49) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL29481150 0.80 MKNK1 (0.62) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL31538451 0.80 MKNK1 (0.55) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL30578438 0.79 MKNK1 (0.62) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL3077045 0.79 MKNK1 (0.62) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
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
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO 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 PIK3CA 241/4885PIK3CD 455/4885PIP5K1C 1642/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 PIK3CA 241/4885PIK3CD 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.