SCHEMBL5129237

SCHEMBL5129237

Fc1ccc(CNc2nc(-n3cccn3)nc3sc(C(F)(F)F)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 5/20 0.41
WDR48 Q8TAF3 5/20 0.41
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37
FLT3 P36888 1/20 0.37
LMNA P02545 1/20 0.37
APP P05067 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 2/20 0.35

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
SCHEMBL5131058 0.93 USP1 (0.42) USP1WDR48MAPTMAPK1MEN1
SCHEMBL5130021 0.89 USP1 (0.46) USP1WDR48ADORA2A
SCHEMBL5130301 0.86 ACHE (0.43) MAPTMEN1KMT2AAPPKDM4E
SCHEMBL5123263 0.86 ICAM1 (0.47) MAPTHTTMAPK1NPSR1L3MBTL1
SCHEMBL5130913 0.86 KDM4E (0.44) USP1WDR48MAPTHTTMAPK1
SCHEMBL5123682 0.86 HRH4 (0.41) USP1WDR48MAPTHTTMAPK1
SCHEMBL5127962 0.86 FLT3 (0.40) USP1WDR48MAPTHTTMAPK1
SCHEMBL5115086 0.85 USP1 (0.49) USP1WDR48MAPTHTTMAPK1
SCHEMBL5129067 0.85 USP1 (0.43) USP1WDR48MAPTMAPK1NPSR1
SCHEMBL5114974 0.84 PDE5A (0.49) USP1WDR48

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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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

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.