SCHEMBL21310911

SCHEMBL21310911

CCOC(=O)c1ccc2nc(N)n(C3CCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALOX15 P16050 1/20 0.49
▸ OGFRL1 Q5TC84 4/20 0.48
▸ OPRM1 P35372 3/20 0.48
▸ OPRK1 P41145 3/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PDE2A O00408 1/20 0.44
▸ GRK6 P43250 1/20 0.44
▸ IDH1 O75874 2/20 0.43
▸ HCAR1 Q9BXC0 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL17582784 0.97 RPS6KB1 (0.48) ALDH1A1MAPK1ALOX15OGFRL1OPRM1
SCHEMBL2030741 0.91 L3MBTL1 (0.57) ALDH1A1MAPK1ALOX15OGFRL1OPRM1
SCHEMBL21310910 0.90 GRK6 (0.46) ALDH1A1MAPK1ALOX15RPS6KB1MAPT
SCHEMBL2031012 0.81 RPS6KB1 (0.49) ALDH1A1L3MBTL1RPS6KB1TP53MAPT
SCHEMBL2031010 0.81 RPS6KB1 (0.49) ALDH1A1L3MBTL1RPS6KB1TP53MAPT
SCHEMBL22382488 0.81 RPS6KB1 (0.51) ALDH1A1L3MBTL1RPS6KB1TP53MAPT
SCHEMBL18779170 0.79 RORC (0.42) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL11111590 0.79 CNR2 (0.45) ALDH1A1L3MBTL1RPS6KB1POLBTP53
SCHEMBL8286248 0.79 PDE2A (0.41) ALDH1A1MAPK1ALOX15L3MBTL1TP53
SCHEMBL989522 0.78 L3MBTL1 (0.41) ALDH1A1OGFRL1OPRM1OPRK1OPRD1

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 ALDH1A1 1321/4885MAPK1 214/4885ALOX15 4694/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 ALDH1A1 1274/4885MAPK1 230/4885ALOX15 4704/4885

“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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