SCHEMBL5120192

SCHEMBL5120192

COc1ccc(CNc2nc(-n3ccnc3)nc3sc(C)cc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.50
TBXAS1 P24557 3/20 0.50
PDE3B Q13370 3/20 0.50
PDE3A Q14432 3/20 0.50
NOS2 P35228 1/20 0.49
NPC1 O15118 1/20 0.47
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
APP P05067 1/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5130132 0.92 PDE5A (0.52) PDE5ATBXAS1PDE3BPDE3ANOS2
SCHEMBL5118523 0.90 PDE5A (0.49) PDE5ATBXAS1PDE3BPDE3ANOS2
SCHEMBL5130011 0.89 PDE5A (0.48) PDE5ATBXAS1PDE3BPDE3ANOS2
SCHEMBL5124427 0.87 PDE5A (0.47) PDE5ATBXAS1PDE3BPDE3ANOS2
SCHEMBL5122618 0.86 PDE5A (0.49) PDE5ATBXAS1PDE3BPDE3ANOS2
SCHEMBL5125177 0.85 NPC1 (0.49) PDE5ANPC1GALR3NR2F2RAB9A
SCHEMBL5123587 0.84 PDE5A (0.49) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5115020 0.84 PDE5A (0.51) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5123730 0.84 PDE5A (0.65) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5117009 0.84 RAB9A (0.48) PDE5ANPC1GALR3NR2F2RAB9A

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 11 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
CN-1081638-C Thienopyrimidine compounds MERCK PATENT GMBH (DE) 2002-03-27 CN disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN 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 2002/4885TBXAS1 70/4885PDE3B 1604/4885

“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.