SCHEMBL5124235

SCHEMBL5124235

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3ccnc3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.48
NOS2 P35228 8/20 0.45
NOS1 P29475 2/20 0.45
PTGS1 P23219 1/20 0.41
TBXAS1 P24557 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 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
SCHEMBL5114371 0.95 PDE5A (0.48) PDE5ANOS2NOS1MAPT
SCHEMBL5122364 0.87 NOS2 (0.49) PDE5ANOS2NOS1
SCHEMBL5128183 0.86 MEN1 (0.40) PDE5AMEN1CRHBPKMT2ACRHR2
SCHEMBL5119927 0.86 PDE5A (0.51) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL5129290 0.86 MEN1 (0.40) PDE5AMEN1CRHBPKMT2ACRHR2
SCHEMBL5123224 0.85 NOS2 (0.50) PDE5ANOS2NOS1PTGS1TBXAS1
SCHEMBL5124771 0.85 NOS2 (0.48) PDE5ANOS2NOS1PTGS1TBXAS1
SCHEMBL5125231 0.84 MEN1 (0.42) PDE5AMEN1CRHBPKMT2ACRHR2
SCHEMBL5123228 0.84 NOS2 (0.49) PDE5ANOS2NOS1PTGS1TBXAS1
SCHEMBL5117613 0.84 PDE5A (0.55) PDE5APTGS1TBXAS1PTGS2PDE3B

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 7 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
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

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 2002/4885NOS2 724/4885NOS1 1006/4885

“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.