SCHEMBL15050405

SCHEMBL15050405

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3ccc4ncccc4c3)ncnc2cc1OC)C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.73
CYP2C9 P11712 2/20 0.73
XIAP P98170 2/20 0.73
CYP2C19 P33261 1/20 0.73
EGFR P00533 10/20 0.42
ERBB2 P04626 6/20 0.42
ERBB4 Q15303 6/20 0.42
RAF1 P04049 2/20 0.41
FGFR2 P21802 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
TEK Q02763 2/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
SRC P12931 1/20 0.41
JAK3 P52333 1/20 0.41
BIRC2 Q13490 3/20 0.40
BIRC3 Q13489 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL159713 1.00 CYP3A4 (0.73) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050408 1.00 CYP3A4 (0.73) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL158620 0.93 CYP3A4 (0.75) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL158621 0.93 CYP3A4 (0.75) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL12474177 0.93 CYP3A4 (0.75) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050543 0.92 CYP3A4 (0.74) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL157995 0.92 CYP3A4 (0.74) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050544 0.92 CYP3A4 (0.74) CYP3A4CYP2C9XIAPCYP2C19EGFR
Hydrochloric Acid SCHEMBL158745 0.92 CYP3A4 (0.73) CYP3A4CYP2C9XIAPCYP2C19EGFR
Hydrochloric Acid SCHEMBL158746 0.92 CYP3A4 (0.73) CYP3A4CYP2C9XIAPCYP2C19EGFR

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 6 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 claimed
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
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
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 4083/4885XIAP 24/4885

“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.