SCHEMBL19046975

SCHEMBL19046975

CCCCOc1ccc2nc(N)n([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)c2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.41
▸ TNF P01375 2/20 0.38
▸ LITAF Q99732 2/20 0.38
▸ CHEK2 O96017 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ HCAR1 Q9BXC0 1/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ OPRM1 P35372 3/20 0.35
▸ OGFRL1 Q5TC84 3/20 0.35
▸ SRC P12931 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PREP P48147 1/20 0.34
▸ EGFR P00533 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
SCHEMBL16895734 0.91 BTK (0.39) BTKTNFLITAFCHEK2PIK3CA
SCHEMBL16895737 0.91 BTK (0.39) BTKTNFLITAFCHEK2PIK3CA
SCHEMBL18681419 0.89 BTK (0.39) BTKTNFLITAFCHEK2PIK3CA
SCHEMBL16896155 0.88 TNF (0.46) BTKTNFLITAFPIK3CAHCAR1
SCHEMBL16896156 0.88 TNF (0.46) BTKTNFLITAFPIK3CAHCAR1
SCHEMBL21890594 0.87 BTK (0.43) BTKTNFLITAFSRCOPRD1
SCHEMBL16901721 0.85 BTK (0.43) BTKTNFLITAFCHEK2PIK3CA
SCHEMBL16901720 0.85 BTK (0.43) BTKTNFLITAFCHEK2PIK3CA
SCHEMBL18681336 0.84 BTK (0.41) BTKTNFLITAFCHEK2PIK3CA
SCHEMBL17121735 0.82 BTK (0.39) BTKTNFLITAFCHEK2PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 BTK 34/4885TNF 4586/4885LITAF 2811/4885

“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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