SCHEMBL5115557

SCHEMBL5115557

FC(F)(F)c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccno3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.45
WDR48 Q8TAF3 3/20 0.45
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CLK4 Q9HAZ1 2/20 0.37
CHRM4 P08173 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE5A O76074 3/20 0.35
MAP2K4 P45985 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34

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
SCHEMBL5121134 0.94 USP1 (0.51) USP1WDR48MAPTNPSR1MEN1
SCHEMBL7611610 0.91 FLT1 (0.37) USP1WDR48MAPTPDE5AALDH1A1
SCHEMBL5123293 0.88 PRKCI (0.43) USP1WDR48MAPTNPSR1CLK4
SCHEMBL5128194 0.87 CHRM4 (0.41) USP1WDR48MAPTNPSR1CLK4
SCHEMBL5123478 0.87 USP1 (0.41) USP1WDR48MAPTNPSR1CLK4
SCHEMBL5122247 0.86 USP1 (0.46) USP1WDR48MAPTNPSR1CLK4
SCHEMBL5127391 0.86 USP1 (0.48) USP1WDR48CLK4DYRK1A
SCHEMBL5125547 0.86 FLT1 (0.42) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL5130392 0.86 USP1 (0.43) USP1WDR48MAPTMEN1KMT2A
SCHEMBL5128755 0.84 USP1 (0.50) USP1WDR48MAPTNPSR1CLK4

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 4 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

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.