SCHEMBL249744

SCHEMBL249744

COc1cc2ncc3[nH]nc(Br)c3c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.47
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
FLT1 P17948 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LRRK2 Q5S007 1/20 0.39
EGFR P00533 7/20 0.38
ERBB2 P04626 3/20 0.38
KDR P35968 2/20 0.38
KDM1A O60341 2/20 0.37
RET P07949 3/20 0.37
KIF5B P33176 1/20 0.37

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
SCHEMBL2398434 0.74 PDPK1 (0.45) PDPK1PRKD3
SCHEMBL248137 0.73 EGFR (0.45) EGFRERBB2
SCHEMBL247658 0.72 PRKDC (0.61)
SCHEMBL1599442 0.72 PDPK1 (0.78) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL15006773 0.72 RET (0.51) PDPK1KDRKDM1ARETKIF5B
SCHEMBL3410352 0.72 EGFR (0.44) PDPK1PDE3APDE10ADAPK3PRKD3
SCHEMBL2238301 0.71 CHUK (0.38) PRKD3
SCHEMBL250550 0.70 PRKDC (0.50) PDPK1PDE10ADAPK3PRKD3FLT1
SCHEMBL15006742 0.68 PDPK1 (0.47) PDPK1PDE10ADAPK3PRKD3FLT1
SCHEMBL27816759 0.67 EGFR (0.56) EGFRERBB2KDRRETKIF5B

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 PDPK1 67/4885PDE3A 1617/4885PDE10A 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.