SCHEMBL19005034

SCHEMBL19005034

Cn1cc(-c2ccc(N)c(NO)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
HDAC2 Q92769 2/20 0.55
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.44
TTK P33981 1/20 0.44
INCENP Q9NQS7 1/20 0.44
KCNH2 Q12809 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43

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
SCHEMBL19005073 0.82 PIK3CD (0.52) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL17476796 0.80 AURKB (0.55) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL24444206 0.79 PIK3CD (0.48) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL25160972 0.78 HDAC2 (0.57) HDAC1HDAC2KCNH2DYRK1A
SCHEMBL1245940 0.78 CYP3A4 (0.48) HDAC1HDAC2
SCHEMBL15507821 0.78 ALDH1A1 (0.59) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL19005196 0.77 PIK3CD (0.55) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL19004903 0.77 PIK3CD (0.39) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL15174551 0.77 PRMT5 (0.50) HDAC1HDAC2PIK3CDPIK3CAPIK3CB
SCHEMBL12492256 0.76 ALDH1A1 (0.55) HDAC1HDAC2PIK3CDPIK3CAPIK3CB

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 HDAC1 226/4885HDAC2 145/4885PIK3CD 455/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 HDAC1 226/4885HDAC2 145/4885PIK3CD 455/4885

“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.