SCHEMBL21310755

SCHEMBL21310755

CN1CCC(c2ccc3nc(N)n([C@H]4CC[C@@H](O)CC4)c3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.50
▸ QDPR P09417 2/20 0.44
▸ ACSS2 Q9NR19 1/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ MTOR P42345 2/20 0.37
▸ AXL P30530 1/20 0.37
▸ EML4 Q9HC35 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1F P30939 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
SCHEMBL21311010 0.82 KDM4E (0.44) EGFR
SCHEMBL14247438 0.77 PIK3CA (0.39) EGFRPIK3CAMTORALKBACE1
SCHEMBL2362280 0.77 CYP11B2 (0.47) —
SCHEMBL14247439 0.77 PIK3CA (0.39) EGFRPIK3CAMTORALKBACE1
SCHEMBL21311007 0.76 QDPR (0.47) EGFRQDPRPIK3CAMTORHTR1D
SCHEMBL21310840 0.74 HCAR1 (0.37) EGFRACSS2PIK3CAMTOR
SCHEMBL21310915 0.74 RPS6KB1 (0.50) EGFR
SCHEMBL21311046 0.74 RPS6KB1 (0.50) EGFR
SCHEMBL21310796 0.73 RORC (0.43) EGFR
SCHEMBL22725499 0.73 OPRM1 (0.49) —

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 1/4885QDPR 2292/4885ACSS2 1755/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885QDPR 1871/4885ACSS2 1944/4885

“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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