SCHEMBL173310

SCHEMBL173310

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.48
ERBB2 P04626 3/20 0.48
RAF1 P04049 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 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
XIAP P98170 1/20 0.43
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
SCHEMBL15049967 0.90 EGFR (0.58) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050542 0.87 EGFR (0.53) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050663 0.87 CYP3A4 (0.57) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050662 0.87 CYP3A4 (0.57) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL173309 0.86 EGFR (0.48) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050150 0.81 CYP3A4 (0.55) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050378 0.80 CYP3A4 (0.60) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050622 0.78 CYP3A4 (0.57) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL15050619 0.78 CYP3A4 (0.57) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL176336 0.78 EGFR (0.50) EGFRERBB2RAF1FGFR2FLT4

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 4690/4885ERBB2 4805/4885RAF1 254/4885

“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.