SCHEMBL246386

SCHEMBL246386

COc1cc2ncc([N+](=O)[O-])c(C)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.50
PDGFRA P16234 2/20 0.50
ABCG2 Q9UNQ0 3/20 0.49
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL29744240 0.84 PDGFRB (0.49) PDGFRBPDGFRAABCG2ACHEBACE1
SCHEMBL21358581 0.84 PDGFRA (0.49) PDGFRBPDGFRAABCG2ACHEBACE1
SCHEMBL246700 0.84 PDGFRB (0.49) PDGFRBPDGFRAABCG2ACHEBACE1
Hydrochloric Acid SCHEMBL26102510 0.82 PDGFRB (0.48) PDGFRBPDGFRAABCG2ACHEBACE1
SCHEMBL21358375 0.81 EGFR (0.51) PDGFRBPDGFRAABCG2EGFRERBB2
SCHEMBL25228952 0.76 PDGFRB (0.43) PDGFRBPDGFRAABCG2ACHEBACE1
SCHEMBL25233608 0.76 PDGFRB (0.43) PDGFRBPDGFRAABCG2ACHEBACE1
SCHEMBL16619327 0.75 PDGFRB (0.41) PDGFRBPDGFRAABCG2ACHEBACE1
Hydrochloric Acid SCHEMBL26101563 0.75 PDGFRB (0.42) PDGFRBPDGFRAABCG2ACHEBACE1
SCHEMBL28826672 0.75 ENPP1 (0.43) PDGFRBPDGFRAABCG2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080092-B Pyrazolo-quinolines compound MERCK PATENT GMBH 2014-12-17 CN disclosed
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
CN-103080092-A Pyrazolo-quinolines MERCK PATENT GMBH 2013-05-01 CN 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 PDGFRB 891/4885PDGFRA 1159/4885ABCG2 814/4885

“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.