SCHEMBL173234

SCHEMBL173234

O=[N+]([O-])c1cc2c(Nc3ccc4[nH]ncc4c3)ncnc2cc1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
RET P07949 2/20 0.59
MKNK1 Q9BUB5 4/20 0.57
HSF1 Q00613 1/20 0.54
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
CDC7 O00311 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL15050482 0.85 RET (0.76) EGFRRETMKNK1HSF1KDR
SCHEMBL8976740 0.82 EGFR (0.69) EGFRRETMKNK1HSF1RAF1
SCHEMBL30638113 0.82 ABCG2 (0.54) EGFRMKNK1ABCG2
SCHEMBL160194 0.82 ABCG2 (0.54) EGFRMKNK1ABCG2
Hydrochloric Acid SCHEMBL8976301 0.82 EGFR (0.68) EGFRRETMKNK1HSF1RAF1
SCHEMBL30638097 0.80 EGFR (0.59) EGFRABCG2
SCHEMBL157043 0.80 EGFR (0.59) EGFRABCG2
SCHEMBL25241 0.79 EGFR (0.63) EGFRKDR
SCHEMBL4579486 0.79 EGFR (0.56) EGFRABCG2
SCHEMBL30237488 0.79 EGFR (0.63) EGFRKDR

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 disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
CN-103237801-A Quinoline or quinazoline derivatives having apoptosis-inducing activity on cells HANMI HOLDINGS CO LTD 2013-08-07 CN 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 4690/4885RET 4064/4885MKNK1 628/4885

“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.