SCHEMBL5118812

SCHEMBL5118812

CCc1cc2c(NCc3ccc4c(c3)OCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.50
WDR48 Q8TAF3 1/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE5A O76074 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL7509495 0.95 USP1 (0.46) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL5118399 0.94 ICAM1 (0.46) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL5129614 0.91 METAP1 (0.47) USP1WDR48MAPTPDE5AKMT2A
SCHEMBL5119043 0.91 USP1 (0.50) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL5116032 0.89 USP1 (0.50) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL5130868 0.88 USP1 (0.56) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL5121879 0.88 MAPT (0.50) USP1WDR48MAPTNPSR1PDE5A
SCHEMBL7512040 0.86 METAP1 (0.43) USP1WDR48MAPTPDE5AKMT2A
SCHEMBL7611754 0.85 METAP1 (0.47) MAPTMEN1KMT2AICAM1SELE
SCHEMBL5122213 0.85 ICAM1 (0.63) MAPTPDE5AMEN1KMT2AICAM1

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.