SCHEMBL159404

SCHEMBL159404

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1N

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.64
FLT1 P17948 8/20 0.64
FGFR1 P11362 3/20 0.64
FLT4 P35916 3/20 0.64
EPHB2 P29323 1/20 0.64
RET P07949 3/20 0.63
KIF5B P33176 3/20 0.63
EPHA2 P29317 5/20 0.61
ERBB2 P04626 5/20 0.61
EPHB4 P54760 5/20 0.61
EGFR P00533 8/20 0.57
SRC P12931 1/20 0.57
AURKA O14965 1/20 0.55
INSR P06213 1/20 0.55
FBP1 P09467 1/20 0.55
PDGFRB P09619 1/20 0.55
CLK1 P49759 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
Hydrochloric Acid SCHEMBL28028749 0.99 KDR (0.63) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL19124462 0.91 EGFR (0.66) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL6669352 0.91 KDR (0.77) KDRFLT1FGFR1FLT4EPHB2
Hydrochloric Acid SCHEMBL28028283 0.90 EGFR (0.65) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL20355392 0.87 KDR (0.64) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL17179538 0.87 EGFR (0.70) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL29988516 0.85 EGFR (0.66) KDRFLT1RETKIF5BEPHA2
SCHEMBL28631617 0.85 EGFR (0.66) KDRFLT1RETKIF5BEPHA2
SCHEMBL19126094 0.83 KDR (0.52) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL158077 0.83 ABCG2 (0.59) KDRFLT1FGFR1FLT4EPHB2

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 12 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
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 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 (3 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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS EGFR, ERBB2, ERBB4 KDR 339/4885FLT1 73/4885FGFR1 7/4885
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 KDR 202/4885FLT1 34/4885FGFR1 8/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX KDR 4712/4885FLT1 4447/4885FGFR1 4757/4885

“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.