SCHEMBL19037547

SCHEMBL19037547

Cc1cc(Cl)c2c(c1)nc(N)n2[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ PIK3CA P42336 1/20 0.39
▸ TNF P01375 2/20 0.39
▸ LITAF Q99732 2/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ CTSD P07339 1/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ KAT5 Q92993 1/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ OGFRL1 Q5TC84 3/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PREP P48147 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL17121730 0.87 BTK (0.43) BTKPIK3CATNFLITAFFPR2
SCHEMBL16901742 0.86 MEN1 (0.40) BTKPIK3CABACE1CTSDOPRM1
SCHEMBL29531255 0.86 HSD11B1 (0.46) BTKTNFLITAFFPR2OPRM1
SCHEMBL16767773 0.86 HSD11B1 (0.46) BTKTNFLITAFFPR2OPRM1
SCHEMBL16767775 0.86 HSD11B1 (0.46) BTKTNFLITAFFPR2OPRM1
SCHEMBL18681336 0.85 BTK (0.41) BTKPIK3CATNFLITAFBACE1
SCHEMBL21890766 0.84 BTK (0.39) BTKPIK3CATNFLITAFCHEK2
SCHEMBL16901721 0.83 BTK (0.43) BTKPIK3CATNFLITAFFPR2
SCHEMBL16901720 0.83 BTK (0.43) BTKPIK3CATNFLITAFFPR2
SCHEMBL16895446 0.83 EGFR (0.45) BTKPIK3CAOPRM1OGFRL1OPRD1

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-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 — — US disclosed
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2018-06-26 — — US disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 — — US 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 (3 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-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 BTK 1296/4885PIK3CA 1045/4885TNF 3406/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 BTK 34/4885PIK3CA 96/4885TNF 4586/4885
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 BTK 34/4885PIK3CA 96/4885TNF 4586/4885

“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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