SCHEMBL21310850

SCHEMBL21310850

Nc1nc2cc(C=O)ccc2n1[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PRKACA P17612 4/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ EGFR P00533 3/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RPS6KB1 P23443 4/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL21310840 0.90 HCAR1 (0.37) ALDH1A1EGFRPIK3CAHCAR1MTOR
SCHEMBL21310847 0.86 KDM4E (0.38) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL21310848 0.86 KDM4E (0.38) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL1923775 0.80 CYP11B2 (0.49) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL1923774 0.80 CYP11B2 (0.49) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL21311054 0.80 PRKACA (0.50) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL25920550 0.79 HCAR1 (0.46) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL2033562 0.78 PRKACA (0.53) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL2033557 0.78 PRKACA (0.53) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL21311046 0.76 RPS6KB1 (0.50) PRKACAGSK3BROCK1EGFRRPS6KB1

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 KDM4E 2662/4885ALDH1A1 1321/4885MAPT 3785/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 KDM4E 2411/4885ALDH1A1 1274/4885MAPT 3569/4885

“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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