SCHEMBL17498589

SCHEMBL17498589

COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.76
ERBB2 P04626 10/20 0.76
ERBB4 Q15303 5/20 0.76
JAK3 P52333 3/20 0.71
GAK O14976 1/20 0.69

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
SCHEMBL17498590 1.00 EGFR (0.76) EGFRERBB2ERBB4JAK3GAK
SCHEMBL17498545 0.94 EGFR (0.81) EGFRERBB2ERBB4JAK3GAK
SCHEMBL17498548 0.94 EGFR (0.81) EGFRERBB2ERBB4JAK3GAK
SCHEMBL2544071 0.92 EGFR (0.83) EGFRERBB2ERBB4JAK3GAK
SCHEMBL2508012 0.92 EGFR (0.83) EGFRERBB2ERBB4JAK3GAK
SCHEMBL2525148 0.90 EGFR (0.86) EGFRERBB2ERBB4JAK3GAK
SCHEMBL17498587 0.88 ERBB2 (0.80) EGFRERBB2ERBB4JAK3
SCHEMBL17498588 0.88 ERBB2 (0.80) EGFRERBB2ERBB4JAK3
SCHEMBL20395184 0.88 EGFR (0.85) EGFRERBB2ERBB4GAK
SCHEMBL869099 0.86 EGFR (0.79) EGFRERBB2ERBB4JAK3GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 EGFR 1223/4885ERBB2 368/4885ERBB4 569/4885

“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.