SCHEMBL249905

SCHEMBL249905

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 2/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
ABCB1 P08183 1/20 0.44
PRKDC P78527 4/20 0.43

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
SCHEMBL248872 0.86 PRKDC (0.49) MAPTHPGDEGFRSRCKDR
SCHEMBL249906 0.84 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL248993 0.81 EGFR (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL31554583 0.79 ABCG2 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL168459 0.78 EGFR (0.49) EGFRSRCKDR
SCHEMBL168494 0.77 PIN1 (0.49)
SCHEMBL31554570 0.77 PIN1 (0.49)
SCHEMBL5546245 0.72 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3489608 0.72 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6766242 0.72 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD

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 MEN1 624/4885KMT2A 2983/4885MAPT 806/4885

“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.