SCHEMBL248603

SCHEMBL248603

COc1cc2ncc(N)c(C)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 14/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
FLT1 P17948 1/20 0.53
RPS6KA3 P51812 1/20 0.53
LRRK2 Q5S007 1/20 0.53
KIT P10721 2/20 0.47
ACHE P22303 1/20 0.42
CSF1R P07333 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
SCHEMBL256577 0.81 PDPK1 (0.47) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL24009146 0.80 PDPK1 (0.47) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL12074900 0.79 RET (0.48) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL21358423 0.78 EGFR (0.49) CSF1R
SCHEMBL21358444 0.77 PDPK1 (0.47) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL23634745 0.75 POLB (0.42) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL4743752 0.75 SRC (0.62)
SCHEMBL5498230 0.73 SRC (0.59)
Amiquinsin SCHEMBL242841 0.73 EHMT2 (0.63)
SCHEMBL4986639 0.73 PDPK1 (0.74) PDPK1DAPK3PRKD3FLT1RPS6KA3

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 67/4885DAPK3 283/4885PRKD3 393/4885

“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.