SCHEMBL5119829

SCHEMBL5119829

FC(F)(F)c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-n3cncn3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.43
WDR48 Q8TAF3 3/20 0.43
TRPV1 Q8NER1 2/20 0.36
PDE10A Q9Y233 1/20 0.35
CTSL P07711 5/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE2A O00408 1/20 0.33
CTSB P07858 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK5 Q00535 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL5128160 0.89 PDE5A (0.45)
SCHEMBL5130913 0.87 KDM4E (0.44) USP1WDR48PDE10AKDM4ETSHR
SCHEMBL5125114 0.87 PDE10A (0.38) USP1WDR48PDE10ACTSLCTSB
SCHEMBL5123344 0.86 EGFR (0.42) USP1WDR48PDE10AMAPK1
SCHEMBL5130021 0.86 USP1 (0.46) USP1WDR48TRPV1CTSLPDE2A
SCHEMBL5123302 0.86 ICAM1 (0.43) USP1WDR48PDE10ACTSLKDM4E
SCHEMBL5119784 0.85 USP1 (0.40) USP1WDR48PDE10AKDM4ETSHR
SCHEMBL5123483 0.85 PDE10A (0.37) USP1WDR48PDE10ACTSLCTSB
SCHEMBL5125837 0.85 PDE5A (0.47) USP1WDR48
SCHEMBL5127718 0.84 TNF (0.43)

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 USP1 2251/4885WDR48 1634/4885TRPV1 4513/4885

“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.