SCHEMBL15050482

SCHEMBL15050482

COc1cc2ncnc(Nc3ccc4[nH]ncc4c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.76
EGFR P00533 6/20 0.65
KDR P35968 1/20 0.64
ABCG2 Q9UNQ0 4/20 0.57
MKNK1 Q9BUB5 1/20 0.54
HSF1 Q00613 1/20 0.54
FBP1 P09467 1/20 0.52
RAF1 P04049 1/20 0.51
BRAF P15056 1/20 0.51
CLK1 P49759 1/20 0.50
ERBB2 P04626 1/20 0.49
KIF5B P33176 1/20 0.49
LCK P06239 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL6181034 0.87 RET (1.00) RETEGFRKDRABCG2MKNK1
Hydrochloric Acid SCHEMBL6179218 0.86 RET (0.98) RETEGFRKDRABCG2MKNK1
SCHEMBL173234 0.85 EGFR (0.60) RETEGFRKDRABCG2MKNK1
SCHEMBL15050338 0.83 EGFR (0.71) RETEGFRKDRABCG2FBP1
SCHEMBL159107 0.81 EGFR (0.68) RETEGFRKDRABCG2FBP1
SCHEMBL8976740 0.80 EGFR (0.69) RETEGFRABCG2MKNK1HSF1
SCHEMBL19885300 0.80 EGFR (0.78) RETEGFRKDRABCG2FBP1
Hydrochloric Acid SCHEMBL8976301 0.79 EGFR (0.68) RETEGFRABCG2MKNK1HSF1
SCHEMBL8976347 0.79 RET (1.00) RETEGFRKDRABCG2RAF1
SCHEMBL8088219 0.78 EGFR (0.79) RETEGFRKDRABCG2MKNK1

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 3 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
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 RET 4064/4885EGFR 4690/4885KDR 4712/4885

“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.