SCHEMBL21310845

SCHEMBL21310845

Nc1nc2ccc(C=O)cc2n1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ OPRM1 P35372 4/20 0.40
▸ OPRD1 P41143 4/20 0.40
▸ OPRK1 P41145 4/20 0.40
▸ OGFRL1 Q5TC84 4/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ PRKACA P17612 3/20 0.38

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
SCHEMBL25920550 0.97 HCAR1 (0.46) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL21310840 0.87 HCAR1 (0.37) HCAR1ALDH1A1
SCHEMBL2360920 0.79 HCAR1 (0.50) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL14247637 0.77 HCAR1 (0.48) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL2362323 0.77 CYP11B2 (0.50) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL17583061 0.77 HCAR1 (0.45) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL17582727 0.77 CYP11B1 (0.49) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL21310850 0.76 KDM4E (0.37) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL21310848 0.76 KDM4E (0.38) HCAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL21310847 0.76 KDM4E (0.38) HCAR1ALDH1A1KDM4EMAPTGFER

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-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 — — US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 — — US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 — — 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 HCAR1 3432/4885ALDH1A1 1321/4885KDM4E 2662/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 HCAR1 3479/4885ALDH1A1 1274/4885KDM4E 2411/4885

“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.

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