SCHEMBL12779087

SCHEMBL12779087

COc1cc2c(Nc3ccccc3)ncnc2cc1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.82
KDR P35968 8/20 0.82
RET P07949 5/20 0.82
LCK P06239 3/20 0.80
RIPK2 O43353 2/20 0.67
EPHB2 P29323 2/20 0.67
SRC P12931 1/20 0.63
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
FLT1 P17948 2/20 0.62
GAK O14976 1/20 0.62
STK10 O94804 1/20 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
SCHEMBL1257431 0.90 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL29515328 0.90 EGFR (1.00) EGFRKDRRETLCKRIPK2
Hydrochloric Acid SCHEMBL5475737 0.89 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL1387182 0.88 EGFR (0.94) EGFRKDRRETLCKRIPK2
SCHEMBL13604745 0.86 EGFR (0.82) EGFRKDRRETLCKRIPK2
Hydrochloric Acid SCHEMBL8807895 0.86 EGFR (0.95) EGFRKDRRETLCKRIPK2
SCHEMBL20050502 0.85 EGFR (0.80) EGFRKDRRETLCKRIPK2
SCHEMBL20050182 0.85 EGFR (0.80) EGFRKDRRETLCKRIPK2
SCHEMBL21442463 0.85 EGFR (0.84) EGFRKDRRETLCKRIPK2
SCHEMBL13604741 0.83 EGFR (0.85) EGFRKDRRETLCKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2018-04-12 US disclosed
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2016-05-12 US disclosed
US-9040548-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2014-05-01 US disclosed
US-8642608-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2014-02-04 US disclosed
US-20110065736-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2011-03-17 US disclosed
US-20070265286-A1 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB 2007-11-15 US disclosed
US-7173038-B1 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2007-02-06 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 (5 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-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR EGFR 199/4885KDR 3/4885RET 503/4885
US-20110065736-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS FLT1, FLT4, KDR EGFR 183/4885KDR 3/4885RET 526/4885
US-20070265286-A1 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR EGFR 183/4885KDR 3/4885RET 526/4885
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR EGFR 181/4885KDR 3/4885RET 446/4885
US-20140121228-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR EGFR 120/4885KDR 3/4885RET 583/4885

“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.