SCHEMBL18949472

SCHEMBL18949472

CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c(C#N)cnc2cc1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 19/20 0.89
▸ EGFR P00533 19/20 0.89
▸ SRC P12931 2/20 0.89
▸ KDR P35968 2/20 0.89
▸ STK25 O00506 1/20 0.87
▸ MAP2K7 O14733 1/20 0.87
▸ CHEK1 O14757 1/20 0.87
▸ GAK O14976 1/20 0.87
▸ EPHB6 O15197 1/20 0.87
▸ ABCC4 O15439 1/20 0.87
▸ MAP3K13 O43283 1/20 0.87
▸ NUAK1 O60285 1/20 0.87
▸ STK17B O94768 1/20 0.87
▸ STK10 O94804 1/20 0.87
▸ PRKD3 O94806 1/20 0.87
▸ ABCB11 O95342 1/20 0.87
▸ MAP4K4 O95819 1/20 0.87
▸ CHEK2 O96017 1/20 0.87
▸ ABL1 P00519 1/20 0.87
▸ INSR P06213 1/20 0.87

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
SCHEMBL24413897 0.94 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
SCHEMBL10014321 0.94 ERBB2 (0.88) ERBB2EGFRSRCKDRSTK25
SCHEMBL18933489 0.93 EGFR (0.78) ERBB2EGFRSRCKDRSTK25
SCHEMBL14864934 0.93 EGFR (0.77) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL15163655 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL571762 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL571763 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL15163654 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
SCHEMBL20812927 0.93 ERBB2 (0.90) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL29801657 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25

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-10246443-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-04-02 — — US disclosed
US-20170226093-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 — — US disclosed
US-9676724-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 — — 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 (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-10246443-B2 Cyanoquinoline derivatives CBR3, CYP3A4, CDK1 ERBB2 3796/4885EGFR 4737/4885SRC 1987/4885
US-20170226093-A1 CYANOQUINOLINE DERIVATIVES CBR3, CYP3A4, CDK1 ERBB2 3796/4885EGFR 4737/4885SRC 1987/4885

“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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