SCHEMBL5122859

SCHEMBL5122859

Clc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.43
PDE5A O76074 5/20 0.41
FLT1 P17948 3/20 0.39
KDR P35968 3/20 0.39
NOS2 P35228 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
NOS1 P29475 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5122850 0.91 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5122862 0.89 BCDIN3D (0.45) BCDIN3DPDE5AFLT1KDRNOS2
SCHEMBL5116184 0.89 BCDIN3D (0.45) BCDIN3DPDE5AFLT1KDRNOS2
SCHEMBL5117944 0.87 FLT1 (0.43) BCDIN3DPDE5AFLT1KDRNOS2
SCHEMBL5122412 0.87 BCDIN3D (0.43) BCDIN3DPDE5AFLT1KDRNOS2
SCHEMBL5129130 0.86 NOS2 (0.51) BCDIN3DPDE5ANOS2NOS1
SCHEMBL5114933 0.85 BCDIN3D (0.41) BCDIN3DPDE5AFLT1KDRNOS2
SCHEMBL7615720 0.85 BCDIN3D (0.45) BCDIN3DPDE5AFLT1KDRNOS2
SCHEMBL5128939 0.85 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5124141 0.84 BCDIN3D (0.41) BCDIN3DPDE5AFLT1KDRNOS2

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 6 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-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 1161/4885PDE5A 2002/4885FLT1 18/4885

“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.