SCHEMBL159918

SCHEMBL159918

O=[N+]([O-])c1cc2c(Nc3c(F)cccc3F)ncnc2cc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.52
▸ ABCG2 Q9UNQ0 4/20 0.48
▸ FBP1 P09467 1/20 0.47
▸ RAF1 P04049 1/20 0.46
▸ BRAF P15056 1/20 0.46

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
SCHEMBL4579035 0.86 EGFR (0.51) EGFRABCG2FBP1
SCHEMBL159831 0.86 EGFR (0.68) EGFRABCG2FBP1RAF1BRAF
SCHEMBL26321 0.85 EGFR (0.64) EGFRABCG2FBP1
SCHEMBL2988532 0.82 EGFR (0.59) EGFRABCG2FBP1
SCHEMBL1418279 0.82 EGFR (0.77) EGFRFBP1
SCHEMBL4968393 0.82 EGFR (0.67) EGFRABCG2FBP1
SCHEMBL6506351 0.82 EGFR (0.67) EGFRFBP1RAF1
SCHEMBL29719006 0.82 EGFR (0.60) EGFRABCG2
SCHEMBL19124251 0.82 EGFR (0.60) EGFRABCG2FBP1
SCHEMBL4576452 0.82 EGFR (0.60) EGFRABCG2

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 4690/4885ABCG2 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.

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