SCHEMBL160194

SCHEMBL160194

O=[N+]([O-])c1cc2c(Nc3ccc4ccccc4c3)ncnc2cc1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.54
EGFR P00533 10/20 0.53
FYN P06241 1/20 0.50
SRC P12931 1/20 0.50
FBP1 P09467 2/20 0.48
MKNK1 Q9BUB5 1/20 0.47

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
SCHEMBL30638113 1.00 ABCG2 (0.54) ABCG2EGFRFYNSRCFBP1
SCHEMBL30638097 0.88 EGFR (0.59) ABCG2EGFRFBP1
SCHEMBL157043 0.88 EGFR (0.59) ABCG2EGFRFBP1
SCHEMBL26321 0.87 EGFR (0.64) ABCG2EGFRFBP1
SCHEMBL31472871 0.85 EGFR (0.58) ABCG2EGFRFBP1
SCHEMBL15391257 0.85 EGFR (0.58) ABCG2EGFRFBP1
SCHEMBL15050338 0.84 EGFR (0.71) ABCG2EGFRSRCFBP1
SCHEMBL4579486 0.83 EGFR (0.56) ABCG2EGFRFBP1
SCHEMBL25241 0.83 EGFR (0.63) EGFRFBP1
SCHEMBL28413582 0.83 EGFR (0.59) ABCG2EGFRFBP1

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
CN-116655599-A Synthesis and application of EGFR allosteric inhibitors 江南大学 2023-08-29 CN disclosed
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 ABCG2 2153/4885EGFR 4690/4885FYN 4702/4885

“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.