SCHEMBL5127640

SCHEMBL5127640

COc1ccc(CNc2nc(-c3cccnc3)nc3sc(C)c(Cl)c23)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGK1 P00558 1/20 0.44
CLK4 Q9HAZ1 3/20 0.43
DYRK1A Q13627 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
USP2 O75604 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 3/20 0.43
CYP2C19 P33261 3/20 0.43

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
SCHEMBL7170341 0.97 ALDH1A1 (0.48) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5129098 0.94 ALDH1A1 (0.49) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5130031 0.93 SMN1; SMN2 (0.46) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7172866 0.91 ALDH1A1 (0.52) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5123238 0.90 CLK4 (0.54) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5813077 0.90 ALDH1A1 (0.48) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5130858 0.89 PRKCI (0.47) PDE5APOLBMEN1KMT2ACHRM4
SCHEMBL7176188 0.87 ALDH1A1 (0.52) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7016466 0.86 PDE5A (0.51) PDE5AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7015902 0.86 ALDH1A1 (0.43) PDE5AMAPTALDH1A1HPGDSMN1; SMN2

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 PDE5A 2002/4885MAPT 2997/4885ALDH1A1 1055/4885

“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.