SCHEMBL21310910

SCHEMBL21310910

CCOC(=O)c1ccc2nc(N)n([C@H]3CC[C@@H](O)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 1/20 0.46
▸ PDE2A O00408 2/20 0.44
▸ IDH1 O75874 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL2031012 0.91 RPS6KB1 (0.49) GRK6PDE2AEGFRALDH1A1KDM4E
SCHEMBL2031010 0.91 RPS6KB1 (0.49) GRK6PDE2AEGFRALDH1A1KDM4E
SCHEMBL17582784 0.91 RPS6KB1 (0.48) GRK6PDE2AIDH1PTGER4PDE10A
SCHEMBL21310911 0.90 ALDH1A1 (0.52) GRK6PDE2AIDH1PTGER4ALDH1A1
SCHEMBL2030741 0.81 L3MBTL1 (0.57) PDE2AALDH1A1ALOX15MAPK1KDM4E
SCHEMBL22382488 0.80 RPS6KB1 (0.51) GRK6PDE2APTGER4ALDH1A1HPGD
SCHEMBL21311021 0.79 RPS6KB1 (0.57) IDH1EGFRPTGER4KDM4ERPS6KB1
SCHEMBL2032453 0.77 RPS6KB1 (0.47) GRK6PDE2APTGER4ALDH1A1HPGD
SCHEMBL2032449 0.77 RPS6KB1 (0.47) GRK6PDE2APTGER4ALDH1A1HPGD
SCHEMBL8286248 0.76 PDE2A (0.41) PDE2AIDH1PTGER4PDE10AALDH1A1

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 GRK6 630/4885PDE2A 3323/4885IDH1 471/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 GRK6 539/4885PDE2A 3075/4885IDH1 414/4885

“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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