SCHEMBL5124992

SCHEMBL5124992

Cc1sc2nc(-c3ccncc3)nc(NCCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 15/20 0.49
PDE5A O76074 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5809738 0.97 PRKCI (0.46) PRKCIPDE5ACNR2
SCHEMBL7615852 0.95 PRKCI (0.49) PRKCICNR2
SCHEMBL5115294 0.91 PRKCI (0.61) PRKCI
SCHEMBL5128775 0.91 MAPT (0.47) PRKCI
SCHEMBL5120165 0.90 MAPT (0.51) PRKCIPDE5A
SCHEMBL8170144 0.88 CFTR (0.44) PDE5ACNR2
SCHEMBL7513678 0.88 MAPT (0.44) PRKCI
SCHEMBL8184338 0.87 CNR2 (0.42) PDE5ACNR2
SCHEMBL5123210 0.86 PDE5A (0.39) PRKCIPDE5A
SCHEMBL5119049 0.86 PDE5A (0.39) PDE5ACNR2

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 PRKCI 1513/4885PDE5A 2002/4885CNR2 3243/4885

“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.