SCHEMBL15050313

SCHEMBL15050313

CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)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 12/20 0.54
ERBB2 P04626 7/20 0.54
ERBB4 Q15303 6/20 0.54
GAK O14976 1/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
LCK P06239 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SRC P12931 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A2 P23975 1/20 0.54
MC3R P41968 1/20 0.54
JAK3 P52333 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL15050309 1.00 CYP3A4 (0.74) CYP3A4CYP2C9CYP2C19XIAPEGFR
Hydrochloric Acid SCHEMBL15050231 0.99 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19XIAPEGFR
Hydrochloric Acid SCHEMBL15050235 0.99 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050508 0.94 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050368 0.94 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19XIAPEGFR
Hydrochloric Acid SCHEMBL15050003 0.94 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19XIAPEGFR
Hydrochloric Acid SCHEMBL15050004 0.94 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050515 0.93 CYP3A4 (0.78) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050512 0.93 CYP3A4 (0.78) CYP3A4CYP2C9CYP2C19XIAPEGFR
SCHEMBL15050126 0.92 CYP3A4 (0.73) 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 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
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US claimed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US 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-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.