SCHEMBL17498511

SCHEMBL17498511

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 13/20 0.75
LCK P06239 1/20 0.63
SRC P12931 1/20 0.62
KDR P35968 1/20 0.62
ERBB4 Q15303 2/20 0.62

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
SCHEMBL17498514 1.00 EGFR (0.75) EGFRERBB2LCKSRCKDR
SCHEMBL17498568 0.94 EGFR (0.75) EGFRERBB2LCKSRCKDR
SCHEMBL17498566 0.94 EGFR (0.75) EGFRERBB2LCKSRCKDR
SCHEMBL17498532 0.88 EGFR (0.75) EGFRERBB2LCKERBB4
SCHEMBL17498534 0.88 EGFR (0.75) EGFRERBB2LCKERBB4
SCHEMBL17498529 0.88 EGFR (0.85) EGFRERBB2LCKSRCERBB4
SCHEMBL17498527 0.88 EGFR (0.85) EGFRERBB2LCKSRCERBB4
SCHEMBL17498530 0.88 EGFR (0.85) EGFRERBB2LCKSRCERBB4
SCHEMBL17498524 0.88 EGFR (0.85) EGFRERBB2LCKSRCERBB4
SCHEMBL17498589 0.86 EGFR (0.76) EGFRERBB2ERBB4

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 368/4885LCK 151/4885

“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.