SCHEMBL21310751

SCHEMBL21310751

CC(C)(O)Cn1c(N)nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.48
▸ PDE4B Q07343 1/20 0.46
▸ PRMT5 O14744 1/20 0.42
▸ TRPV3 Q8NET8 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CHEK2 O96017 2/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 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
SCHEMBL21310756 0.96 PDE4B (0.49) EGFRPDE4BPRMT5TRPV3HPGDS
SCHEMBL21311020 0.91 EGFR (0.44) EGFRPDE4BKDM4E
SCHEMBL21310800 0.78 EGFR (0.51) EGFRCNR2
SCHEMBL9962347 0.78 PDE4B (0.54) PDE4BPRMT5ALOX5APFEN1HPGDS
SCHEMBL21310817 0.77 EGFR (0.56) EGFRCNR2
SCHEMBL21311035 0.76 EGFR (0.52) EGFRCNR2
SCHEMBL21310986 0.76 EGFR (0.55) EGFRCNR2
SCHEMBL21311022 0.76 OPRM1 (0.47) EGFRPDE4BKDM4E
SCHEMBL21310985 0.75 EGFR (0.42) EGFRCNR2
SCHEMBL1988650 0.74 PDE4B (0.52) PDE4BPRMT5ALOX5APFEN1HPGDS

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 EGFR 1/4885PDE4B 3913/4885PRMT5 453/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885PDE4B 4016/4885PRMT5 302/4885

“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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