SCHEMBL248993

SCHEMBL248993

COc1cc2ncc([N+](=O)[O-])c(C(C#N)c3ccc(C#N)cc3)c2cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
PRKDC P78527 4/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PDPK1 O15530 1/20 0.40

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
SCHEMBL248994 0.85 HTR1A (0.40) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL249905 0.81 MEN1 (0.45) EGFRSRCKDRPRKDCMEN1
SCHEMBL168459 0.76 EGFR (0.49) EGFRSRCKDR
SCHEMBL31554570 0.76 PIN1 (0.49) PDPK1
SCHEMBL168494 0.76 PIN1 (0.49) PDPK1
SCHEMBL31554583 0.76 ABCG2 (0.48) EGFRMEN1ALDH1A1MAPTHPGD
SCHEMBL4744333 0.72 EGFR (0.54) EGFRSRCKDRPDPK1
SCHEMBL5546245 0.71 MEN1 (0.48) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL3489608 0.71 MEN1 (0.52) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6766242 0.71 MEN1 (0.52) MEN1ALDH1A1MAPTHPGDKMT2A

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-2588457-B1 PYRAZOLOQUINOLINE DERIVATIVES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-8802712-B2 Pyrazoloquinolines MERCK PATENT GMBH (DE) 2014-08-12 US disclosed
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
EP-2588457-A1 PYRAZOLO-QUINOLINES Merck Patent GmbH (DE) 2013-05-08 EP disclosed
WO-2012000632-A1 PYRAZOLO-QUINOLINES MERCK PATENT GMBH (DE) 2012-01-05 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-20130150359-A1 PYRAZOLOQUINOLINES PLK1, PKN3, PKN1 EGFR 911/4885SRC 378/4885KDR 281/4885

“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.