SCHEMBL19037553

SCHEMBL19037553

Cc1cc(C(=O)Nc2nc3ccc(C)c(Cl)c3n2[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.59
▸ CYP2D6 P10635 3/20 0.58
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ ITK Q08881 2/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ TXK P42681 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ ANO1 Q5XXA6 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
SCHEMBL17121685 0.93 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895961 0.90 EGFR (0.69) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895963 0.90 EGFR (0.69) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16791246 0.90 EGFR (0.70) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895935 0.90 EGFR (0.70) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19046974 0.89 EGFR (0.55) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901723 0.89 EGFR (0.46) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19037552 0.88 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL18681749 0.88 EGFR (0.56) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL29895896 0.88 EGFR (0.56) EGFRCYP2D6CYP3A4CYP2C9ITK

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 EGFR 2304/4885CYP2D6 52/4885CYP3A4 15/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 EGFR 4/4885CYP2D6 1898/4885CYP3A4 1537/4885
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 EGFR 4/4885CYP2D6 1898/4885CYP3A4 1537/4885

“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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