SCHEMBL159107

SCHEMBL159107

COc1cc2ncnc(Nc3ccc4ncccc4c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.68
ABCG2 Q9UNQ0 4/20 0.59
FBP1 P09467 1/20 0.55
CLK1 P49759 1/20 0.52
ATM Q13315 2/20 0.52
LCK P06239 1/20 0.51
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
ERBB2 P04626 1/20 0.49
ERBB4 Q15303 1/20 0.49
RET P07949 5/20 0.49
KDR P35968 4/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
SRC P12931 1/20 0.48
KIF5B P33176 1/20 0.48

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
SCHEMBL15050338 0.89 EGFR (0.71) EGFRABCG2FBP1CLK1ATM
SCHEMBL8976743 0.86 EGFR (0.69) EGFRABCG2CLK1ATMLCK
SCHEMBL157043 0.85 EGFR (0.59) EGFRABCG2FBP1ERBB2ERBB4
SCHEMBL30638097 0.85 EGFR (0.59) EGFRABCG2FBP1ERBB2ERBB4
SCHEMBL19885300 0.83 EGFR (0.78) EGFRABCG2FBP1ATMLCK
SCHEMBL160997 0.83 EGFR (0.68) EGFRABCG2CLK1ATMLCK
SCHEMBL30638119 0.82 KDR (0.53) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL29087935 0.82 KDR (0.53) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL8088219 0.82 EGFR (0.79) EGFRABCG2FBP1LCKERBB2
SCHEMBL17940088 0.81 EGFR (1.00) EGFRABCG2FBP1ERBB2ERBB4

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 4690/4885ABCG2 2153/4885FBP1 2415/4885

“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.