SCHEMBL17498577

SCHEMBL17498577

COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.72
▸ ERBB2 P04626 13/20 0.72
▸ ERBB4 Q15303 5/20 0.58
▸ JAK3 P52333 2/20 0.58
▸ KDR P35968 1/20 0.57
▸ RIPK2 O43353 2/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ RIPK3 Q9Y572 2/20 0.57
▸ GAK O14976 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ SRC P12931 1/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ ADRA2C P18825 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ MC3R P41968 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ PDE4D Q08499 1/20 0.57

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
SCHEMBL17498578 1.00 EGFR (0.72) EGFRERBB2ERBB4JAK3KDR
SCHEMBL17498564 0.93 EGFR (0.73) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL17498561 0.93 EGFR (0.73) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL17498531 0.93 EGFR (0.72) EGFRERBB2KDR
SCHEMBL17498528 0.93 EGFR (0.72) EGFRERBB2KDR
SCHEMBL17498572 0.92 EGFR (0.73) EGFRERBB2KDR
SCHEMBL17498576 0.92 EGFR (0.73) EGFRERBB2KDR
SCHEMBL19100267 0.87 EGFR (0.61) EGFRERBB2KDR
SCHEMBL17498571 0.86 EGFR (0.79) EGFRERBB2ERBB4RIPK2KCNH2
SCHEMBL17498570 0.86 EGFR (0.79) EGFRERBB2ERBB4RIPK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 — — US disclosed
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 — — US disclosed
WO-2017117680-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2017-07-13 — — WO disclosed
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 (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-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 EGFR 1/4885ERBB2 2/4885ERBB4 3/4885
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.

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