SCHEMBL19004891

SCHEMBL19004891

Nc1ccc(-c2ncncc2O)cc1NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 7/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HDAC2 Q92769 6/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL19005212 0.81 KIT (0.41) KMT2ALMNAHTTNPSR1CYP3A4
SCHEMBL19005195 0.78 TBK1 (0.36) KMT2ALMNAHTTHDAC1HDAC2
SCHEMBL19004892 0.77 KMT2A (0.34) KMT2ALMNAHTTNPSR1CYP3A4
SCHEMBL24027040 0.77 LMNA (0.36) KMT2ALMNAHTTNPSR1CYP3A4
SCHEMBL18986106 0.73 MAPT (0.55) KMT2ALMNANPSR1CYP3A4ALOX15
SCHEMBL1245940 0.73 CYP3A4 (0.48) KMT2AHDAC1HDAC2CYP3A4ALOX15
SCHEMBL19004963 0.69 KMO (0.43) KMT2AHDAC2PIK3CDABL1EGFR
SCHEMBL23605461 0.67 KMT2A (0.37) KMT2ALMNAHTTNPSR1HSD17B10
Hydrochloric Acid SCHEMBL23579556 0.66 KMT2A (0.36) KMT2ALMNAHTTNPSR1HSD17B10
SCHEMBL19005120 0.66 KMO (0.43) HDAC1HDAC2HDAC3

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 KMT2A 1401/4885LMNA 1179/4885HTT 2049/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 KMT2A 1401/4885LMNA 1179/4885HTT 2049/4885

“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.