SCHEMBL5122008

SCHEMBL5122008

O=[N+]([O-])c1cc2c(NCc3ccccc3)nc(-n3cccn3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 1/20 0.39
TBXAS1 P24557 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EGFR P00533 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 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
SCHEMBL5124320 0.92 PDE5A (0.40) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5130387 0.91 PDE5A (0.48) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5123475 0.88 USP1 (0.37) PDE5A
SCHEMBL5116459 0.86 PDE5A (0.47) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128133 0.86 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL5115746 0.85 PDE5A (0.43) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5129290 0.85 MEN1 (0.40) PDE5AMEN1KMT2AMAPT
SCHEMBL5125225 0.84 PDE5A (0.67) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL5122244 0.84 PDE5A (0.46) PDE5A
SCHEMBL5129478 0.83 PDE5A (0.45) PDE5AMAPTPTGS1TBXAS1PTGS2

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 8 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-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 2002/4885MEN1 696/4885KMT2A 388/4885

“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.