SCHEMBL5118059

SCHEMBL5118059

Cc1csc2nc(-c3cnccn3)nc(NCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
PDE5A O76074 4/20 0.43
TSHR P16473 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.41
CLK4 Q9HAZ1 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL5809952 0.95 MAPT (0.42) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL5118413 0.95 ESR1 (0.41) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL5128338 0.91 BCDIN3D (0.39) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL7516589 0.90 ESR1 (0.42) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL5119670 0.88 HIF1A (0.46) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL5130570 0.86 MAPT (0.48) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL7617167 0.86 TGFBR1 (0.38) MAPTPDE5AALDH1A1HTTL3MBTL1
SCHEMBL5120075 0.86 MAPT (0.45) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL5123771 0.86 MAPT (0.63) MAPTNPSR1PDE5ATSHRALDH1A1
SCHEMBL5121202 0.84 MAPT (0.44) MAPTNPSR1PDE5ATSHRALDH1A1

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
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 MAPT 2997/4885NPSR1 3053/4885PDE5A 2002/4885

“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.