SCHEMBL21890767

SCHEMBL21890767

Cc1cc(C(=O)Nc2nc3cc(OC(=O)N4CCC4)cc(Cl)c3n2[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ITK Q08881 2/20 0.36
▸ TEC P42680 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 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
SCHEMBL18681435 0.95 EGFR (0.53) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL17121732 0.92 EGFR (0.55) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19037552 0.91 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL20506849 0.90 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL18681338 0.90 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL18681597 0.90 EGFR (0.51) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL18681340 0.90 EGFR (0.55) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL18681756 0.89 EGFR (0.60) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL29895878 0.89 EGFR (0.60) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL20506848 0.89 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 — — US disclosed
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 — — US disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 — — US disclosed
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CAPELLA THERAPEUTICS, INC. (US) 2020-03-17 — — 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-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK EGFR 1973/4885CYP2D6 1914/4885CYP3A4 636/4885
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CHKB, CHKA, CHUK EGFR 1973/4885CYP2D6 1914/4885CYP3A4 636/4885
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK EGFR 1973/4885CYP2D6 1914/4885CYP3A4 636/4885

“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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