SCHEMBL5121202

SCHEMBL5121202

Cc1sc2nc(-c3cnccn3)nc(NCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM4 P08173 1/20 0.41
PDE5A O76074 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK4 Q9HAZ1 8/20 0.40
DYRK1A Q13627 6/20 0.40
CLK1 P49759 3/20 0.40
CLK2 P49760 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
DYRK1B Q9Y463 2/20 0.39
CLK3 P49761 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5121690 0.95 CHRM4 (0.41) MAPTNPSR1CHRM4PDE5AMEN1
SCHEMBL5814433 0.92 CHRM4 (0.39) MAPTNPSR1CHRM4PDE5AALDH1A1
SCHEMBL5123210 0.92 PDE5A (0.39) MAPTNPSR1CHRM4PDE5AMEN1
SCHEMBL5120075 0.91 MAPT (0.45) MAPTNPSR1PDE5AALDH1A1SMN1; SMN2
SCHEMBL7509747 0.90 MAPT (0.42) MAPTNPSR1CHRM4PDE5AMEN1
SCHEMBL5124656 0.89 ALDH1A1 (0.43) MAPTNPSR1CHRM4PDE5AMEN1
SCHEMBL5809740 0.89 PDE5A (0.37) MAPTNPSR1CHRM4PDE5AMEN1
SCHEMBL7614393 0.86 ALDH1A1 (0.36) MAPTCHRM4PDE5AALDH1A1SMN1; SMN2
SCHEMBL5119382 0.86 MAPT (0.61) MAPTNPSR1CHRM4PDE5AMEN1
SCHEMBL5114901 0.86 ALDH1A1 (0.47) MAPTNPSR1CHRM4PDE5AMEN1

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 6 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
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 3053/4885CHRM4 4573/4885

“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.