SCHEMBL248872

SCHEMBL248872

COc1cc2ncc(N)c(C(=O)c3ccc(C#N)cc3)c2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.49
EGFR P00533 2/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47
PDPK1 O15530 1/20 0.47
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK7 Q13164 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP2K1 Q02750 1/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL249905 0.86 MEN1 (0.45) PRKDCEGFRSRCKDRMAPT
SCHEMBL248873 0.82 ATM (0.42) ATMMAPTNPC1HPGDRAB9A
SCHEMBL168060 0.75 EGFR (0.52) PRKDCEGFRSRCKDRMAP2K1
SCHEMBL31554584 0.74 PDPK1 (0.54) EGFRSRCKDRPDPK1ATM
SCHEMBL15265722 0.74 EGFR (0.61) EGFRSRCKDRPDPK1MAP2K1
SCHEMBL1893862 0.74 EGFR (0.61) EGFRSRCKDRPDPK1MAP2K1
SCHEMBL247389 0.73 PRKDC (0.83) PRKDC
SCHEMBL4742038 0.73 EGFR (0.62) EGFRSRCKDRMAP2K1
SCHEMBL4742854 0.73 EGFR (0.62) EGFRSRCKDRMAP2K1
SCHEMBL12082106 0.72 SMPD1 (0.47) ATMNPC1HPGDRAB9ASMN1; SMN2

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 PRKDC 302/4885EGFR 911/4885SRC 378/4885

“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.