SCHEMBL5115111

SCHEMBL5115111

CCc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccno3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.46
BCDIN3D Q7Z5W3 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
PDE5A O76074 1/20 0.40
CNR2 P34972 1/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAAH O00519 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7614334 0.95 PRKCI (0.46) PRKCIBCDIN3DADORA2AADORA1FLT1
SCHEMBL5130866 0.91 USP1 (0.46) PRKCIFLT1KDRPDE5AUSP1
SCHEMBL5129031 0.90 BCDIN3D (0.42) BCDIN3DADORA2AADORA1FLT1KDR
SCHEMBL5125547 0.89 FLT1 (0.42) BCDIN3DADORA2AADORA1FLT1KDR
SCHEMBL5128694 0.88 BCDIN3D (0.40) BCDIN3DADORA2AADORA1FLT1KDR
SCHEMBL7505488 0.86 USP1 (0.42) PRKCIPDE5AUSP1WDR48ALDH1A1
SCHEMBL5123545 0.85 PRKCI (0.64) PRKCIBCDIN3DADORA2AADORA1FLT1
SCHEMBL5123293 0.85 PRKCI (0.43) PRKCIPDE5AUSP1WDR48ALDH1A1
SCHEMBL7617528 0.85 NPC1 (0.39) PRKCIBCDIN3DADORA2AADORA1FLT1
SCHEMBL5119984 0.84 ALDH1A1 (0.38) BCDIN3DADORA2AADORA1FLT1KDR

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 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 1513/4885BCDIN3D 1161/4885ADORA2A 1406/4885

“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.