SCHEMBL5115283

SCHEMBL5115283

COc1ccc(CNc2nc(-c3cnccn3)nc3sc(C(F)(F)F)cc23)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.45
BCDIN3D Q7Z5W3 2/20 0.42
PDE6D O43924 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
PGK1 P00558 1/20 0.38

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
SCHEMBL5123250 0.92 MEN1 (0.43) PDE5A
SCHEMBL5124090 0.90 USP1 (0.46) LIMK1LIMK2
SCHEMBL5129625 0.89 PDE5A (0.45) PDE5ABCDIN3D
SCHEMBL5114999 0.89 PRKCI (0.43) PDE5ABCDIN3DLIMK1LIMK2PGK1
SCHEMBL5128040 0.89 PDE5A (0.43) PDE5ABCDIN3DLIMK1LIMK2
SCHEMBL5117610 0.88 PDE5A (0.42) PDE5ABCDIN3DLIMK1LIMK2
SCHEMBL5120310 0.87 MAPT (0.47) PDE5ABCDIN3DPGK1
SCHEMBL5122271 0.86 PDE5A (0.47) PDE5ABCDIN3DPDE6DPDE6APDE6G
SCHEMBL7508291 0.86 BCDIN3D (0.42) PDE5ABCDIN3D
SCHEMBL7522772 0.85 BCDIN3D (0.42) PDE5ABCDIN3D

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 PDE5A 2002/4885BCDIN3D 1161/4885PDE6D 2877/4885

“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.