SCHEMBL173309

SCHEMBL173309

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3F)c2c1)C(C)(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.48
RAF1 P04049 2/20 0.48
ERBB2 P04626 2/20 0.48
FGFR2 P21802 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
TEK Q02763 2/20 0.48
FLT1 P17948 1/20 0.48
CYP3A4 P08684 6/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
XIAP P98170 1/20 0.46
AURKB Q96GD4 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL15049966 0.91 CYP3A4 (0.58) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050662 0.88 CYP3A4 (0.57) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050663 0.88 CYP3A4 (0.57) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050541 0.87 CYP3A4 (0.53) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL173310 0.86 EGFR (0.48) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050145 0.81 CYP3A4 (0.57) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050373 0.80 CYP3A4 (0.62) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050206 0.80 CYP3A4 (0.63) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL157747 0.80 CYP3A4 (0.63) EGFRRAF1ERBB2FGFR2FLT4
SCHEMBL15050205 0.80 CYP3A4 (0.63) EGFRRAF1ERBB2FGFR2FLT4

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
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP 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 (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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX EGFR 4690/4885RAF1 254/4885ERBB2 4805/4885

“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.