SCHEMBL4766903

SCHEMBL4766903

CCCOc1ccccc1-c1[c]nn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
ALDH1A1 P00352 3/20 0.44
USP2 O75604 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
TLR8 Q9NR97 1/20 0.42
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDE2A O00408 1/20 0.41
PDE6D O43924 1/20 0.41

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
SCHEMBL4724247 0.93 CYP1A2 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4767143 0.88 ALDH1A1 (0.48) PDE5AALDH1A1USP2CASP1MAPT
SCHEMBL4765490 0.79 MEN1 (0.44) TP53MAPTTLR8KMT2AMEN1
SCHEMBL10438816 0.76 HTR7 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28131881 0.75 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4720426 0.73 CYP1A2 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6961624 0.73 PDE5A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4720100 0.72 GAA (0.50) TP53TLR8CYP1A2CYP2C9CYP2C19
SCHEMBL4721568 0.72 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL15258340 0.72 HSD17B10 (0.46) PDE5APDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 PDE5A 269/4885PDE4A 85/4885PDE4B 128/4885

“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.