SCHEMBL5114649

SCHEMBL5114649

Cc1sc2nc(-c3cccnc3)nc(NCc3cccc([N+](=O)[O-])c3)c2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.54
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.45
ABCG2 Q9UNQ0 4/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5122661 0.91 PDE5A (0.56) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5131068 0.91 PDE5A (0.52) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5115389 0.87 PDE5A (0.42) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL8178031 0.85 PDE5A (0.52) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL7513631 0.85 PDE5A (0.40) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5118967 0.85 ALDH1A1 (0.57) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5129580 0.84 PDE5A (0.56) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL8180173 0.84 PDE5A (0.49) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5123408 0.84 PDE5A (0.46) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5120899 0.84 MAPT (0.47) PDE5AMEN1KMT2AALDH1A1MAPT

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
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.