SCHEMBL17538485

SCHEMBL17538485

CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.87
ERBB4 Q15303 9/20 0.84
ERBB2 P04626 16/20 0.82
JAK3 P52333 2/20 0.82
GAK O14976 1/20 0.82
RIPK2 O43353 1/20 0.82
NR1I2 O75469 1/20 0.82
LCK P06239 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
CHRM1 P11229 1/20 0.82
SRC P12931 1/20 0.82
DRD2 P14416 1/20 0.82
ADRA2C P18825 1/20 0.82
SLC6A2 P23975 1/20 0.82
MC3R P41968 1/20 0.82
SLC6A3 Q01959 1/20 0.82
PDE4D Q08499 1/20 0.82
KCNH2 Q12809 1/20 0.82
RIPK3 Q9Y572 1/20 0.82

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
SCHEMBL17538481 0.99 EGFR (0.86) EGFRERBB4ERBB2JAK3GAK
SCHEMBL25412 0.94 EGFR (0.89) EGFRERBB4ERBB2JAK3GAK
SCHEMBL30115295 0.94 EGFR (0.89) EGFRERBB4ERBB2JAK3GAK
SCHEMBL18595918 0.94 EGFR (0.88) EGFRERBB4ERBB2JAK3GAK
SCHEMBL26269 0.94 EGFR (0.88) EGFRERBB4ERBB2JAK3GAK
SCHEMBL30115325 0.94 EGFR (0.88) EGFRERBB4ERBB2JAK3GAK
SCHEMBL13206512 0.92 EGFR (1.00) EGFRERBB4ERBB2JAK3GAK
SCHEMBL25802 0.92 EGFR (1.00) EGFRERBB4ERBB2JAK3GAK
SCHEMBL30115347 0.92 EGFR (0.89) EGFRERBB4ERBB2JAK3GAK
SCHEMBL30115373 0.92 EGFR (1.00) EGFRERBB4ERBB2JAK3GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 WO 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-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR EGFR 3/4885ERBB4 17/4885ERBB2 18/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR EGFR 3/4885ERBB4 17/4885ERBB2 18/4885

“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.