SCHEMBL21311010

SCHEMBL21311010

CN1CCN(c2ccc3nc(N)n([C@H]4CC[C@@H](O)CC4)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ BRD4 O60885 7/20 0.42
▸ GAA P10253 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PTK2B Q14289 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ADRA2C P18825 2/20 0.39

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
SCHEMBL21310755 0.82 EGFR (0.50) EGFR
SCHEMBL14247439 0.76 PIK3CA (0.39) KDM4EKMT2AEGFRMAPTMAPK1
SCHEMBL14247438 0.76 PIK3CA (0.39) KDM4EKMT2AEGFRMAPTMAPK1
SCHEMBL21311007 0.75 QDPR (0.47) EGFRCYP11B2
SCHEMBL2362280 0.74 CYP11B2 (0.47) SMN1; SMN2NPC1RAB9AGAAHTR3A
SCHEMBL21310840 0.73 HCAR1 (0.37) EGFRALDH1A1CYP11B1CYP11B2
SCHEMBL21310915 0.73 RPS6KB1 (0.50) EGFRHTTCYP11B2
SCHEMBL21311046 0.73 RPS6KB1 (0.50) EGFRHTTCYP11B2
SCHEMBL24171246 0.71 BRD4 (0.40) KDM4ESMN1; SMN2NPC1RAB9ABRD4
SCHEMBL30311978 0.71 BRD4 (0.40) KDM4ESMN1; SMN2NPC1RAB9ABRD4

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 2662/4885SMN1; SMN2 4633/4885NPC1 2273/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 KDM4E 2411/4885SMN1; SMN2 4548/4885NPC1 2158/4885

“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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