SCHEMBL5114933

SCHEMBL5114933

O=[N+]([O-])c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PDE5A O76074 3/20 0.37
MAPT P10636 1/20 0.36
FLT1 P17948 3/20 0.36
KDR P35968 3/20 0.36
NOS2 P35228 2/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NOS1 P29475 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5124288 0.92 PDE5A (0.44) ALDH1A1PDE5AMAPTNPC1RAB9A
SCHEMBL5120681 0.88 BCDIN3D (0.40) BCDIN3DALDH1A1PDE5AMAPTFLT1
SCHEMBL5122364 0.87 NOS2 (0.49) PDE5ANOS2NOS1
SCHEMBL5128183 0.87 MEN1 (0.40) ALDH1A1PDE5AMAPT
SCHEMBL5122862 0.85 BCDIN3D (0.45) BCDIN3DALDH1A1PDE5AFLT1KDR
SCHEMBL5122859 0.85 BCDIN3D (0.43) BCDIN3DALDH1A1PDE5AMAPTFLT1
SCHEMBL5116184 0.85 BCDIN3D (0.45) BCDIN3DALDH1A1PDE5AFLT1KDR
SCHEMBL5117944 0.83 FLT1 (0.43) BCDIN3DALDH1A1PDE5AFLT1KDR
SCHEMBL5130222 0.83 PDE5A (0.44) BCDIN3DALDH1A1PDE5AMAPTFLT1
SCHEMBL7615720 0.82 BCDIN3D (0.45) BCDIN3DALDH1A1PDE5AFLT1KDR

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
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
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 BCDIN3D 1161/4885ALDH1A1 1055/4885PDE5A 2002/4885

“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.