SCHEMBL5116070

SCHEMBL5116070

FC(F)(F)c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3cnccn3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.43
WDR48 Q8TAF3 2/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CLK4 Q9HAZ1 4/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PDE5A O76074 3/20 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
SCHEMBL5117960 0.95 USP1 (0.49) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL7620466 0.92 ADORA2A (0.37) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL5128755 0.89 USP1 (0.50) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL5130883 0.89 PRKCI (0.44) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL5114975 0.87 MAPT (0.44) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL5116209 0.87 MAPT (0.44) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL5122288 0.86 FLT1 (0.41) USP1WDR48MAPTNPSR1ADORA2A
SCHEMBL5120260 0.86 MAPT (0.59) USP1WDR48MAPTNPSR1CLK4
SCHEMBL5122247 0.86 USP1 (0.46) USP1WDR48MAPTNPSR1CLK4
SCHEMBL5124090 0.86 USP1 (0.46) USP1WDR48ADORA2AADORA1CLK4

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 6 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-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 USP1 2251/4885WDR48 1634/4885MAPT 2997/4885

“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.