SCHEMBL248137

SCHEMBL248137

COc1cc2ncc3[nH]nc(-c4ccc(C#N)c(Br)c4)c3c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.45
ERBB2 P04626 8/20 0.45
PRKDC P78527 5/20 0.44
SRC P12931 5/20 0.43
MAP2K1 Q02750 2/20 0.43
GAK O14976 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
SCHEMBL3422928 0.88 SRC (0.47) EGFRERBB2PRKDCSRC
SCHEMBL248964 0.85 PRKDC (0.45) EGFRERBB2PRKDCSRCMAP2K1
SCHEMBL248798 0.85 PRKDC (0.44) EGFRERBB2PRKDCSRCMAP2K1
SCHEMBL15006907 0.85 MAP2K1 (0.50) EGFRERBB2PRKDCSRCMAP2K1
SCHEMBL15006694 0.84 PRKDC (0.45) EGFRERBB2PRKDCSRCMAP2K1
SCHEMBL247658 0.84 PRKDC (0.61) PRKDC
SCHEMBL15006895 0.84 PRKDC (0.43) EGFRERBB2PRKDCSRCMAP2K1
SCHEMBL3414910 0.84 PRKDC (0.43) EGFRERBB2PRKDCSRCMAP2K1
SCHEMBL15006672 0.84 PRKDC (0.43) PRKDCMAP2K1
SCHEMBL16215861 0.81 SRC (0.45) EGFRERBB2PRKDCSRC

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 EGFR 911/4885ERBB2 672/4885PRKDC 302/4885

“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.