SCHEMBL15075528

SCHEMBL15075528

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 1/20 0.74
XIAP P98170 1/20 0.74
EGFR P00533 10/20 0.61
ERBB2 P04626 6/20 0.61
RET P07949 2/20 0.61
RAF1 P04049 2/20 0.61
FGFR2 P21802 2/20 0.61
FLT4 P35916 2/20 0.61
KDR P35968 2/20 0.61
TEK Q02763 2/20 0.61
ABL1 P00519 1/20 0.61
LCK P06239 1/20 0.61
SRC P12931 1/20 0.61
GAK O14976 1/20 0.51
RIPK2 O43353 1/20 0.51
LYN P07948 1/20 0.51
EPHA1 P21709 1/20 0.51
ERBB3 P21860 1/20 0.51

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
SCHEMBL15050613 0.94 EGFR (0.70) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050615 0.94 EGFR (0.70) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050976 0.94 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050975 0.94 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050141 0.94 CYP3A4 (0.77) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050137 0.94 CYP3A4 (0.77) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050173 0.94 CYP3A4 (0.77) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050176 0.94 CYP3A4 (0.77) CYP3A4CYP2C9CYP2C19XIAPEGFR
Hydrochloric Acid SCHEMBL15050187 0.94 EGFR (0.70) CYP3A4CYP2C9CYP2C19XIAPEGFR
Hydrochloric Acid SCHEMBL15050184 0.94 EGFR (0.70) CYP3A4CYP2C9CYP2C19XIAPEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 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 (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 CYP3A4 2789/4885CYP2C9 4083/4885CYP2C19 4270/4885

“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.