SCHEMBL250550

SCHEMBL250550

COc1cc2ncc3c(c(Br)nn3C)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 15/20 0.50
PDPK1 O15530 3/20 0.46
PDE10A Q9Y233 1/20 0.45
KDR P35968 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL15006888 0.86 PRKDC (0.54) PRKDCPDPK1KDR
SCHEMBL3408547 0.84 PRKDC (0.51) PRKDCPDPK1PDE10AKDRDAPK3
SCHEMBL15006742 0.78 PDPK1 (0.47) PRKDCPDPK1PDE10AKDRDAPK3
SCHEMBL15025390 0.74 PRKDC (0.64) PRKDC
SCHEMBL10065795 0.74 PRKDC (0.55) PRKDCPDPK1
SCHEMBL15006683 0.73 PRKDC (0.78) PRKDC
SCHEMBL3412488 0.71 KIT (0.60) PRKDCPDPK1
SCHEMBL16215878 0.71 PRKDC (0.52) PRKDC
SCHEMBL1599442 0.71 PDPK1 (0.78) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL249744 0.70 PDPK1 (0.47) PDPK1PDE10AKDRDAPK3PRKD3

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 8 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-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
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 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 PRKDC 302/4885PDPK1 67/4885PDE10A 1841/4885

“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.