SCHEMBL4723778

SCHEMBL4723778

CCCOc1ccccc1-c1[c]nccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.48
PDE4A P27815 5/20 0.48
PDE4B Q07343 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48
CYP1A2 P05177 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL4719731 0.93 CYP1A2 (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4765574 0.88 PDE5A (0.46) PDE5AGCGRMAPK14ALDH1A1MAPT
SCHEMBL4721579 0.81 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1971146 0.79 ALDH1A1 (0.44) PDE5ACYP1A2ALDH1A1LMNAMAPT
SCHEMBL4720650 0.79 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3751860 0.77 SGMS2 (0.53) CYP1A2CYP2C19ALDH1A1ALOX15HTR7
SCHEMBL10438816 0.76 HTR7 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28131881 0.75 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4765692 0.74 CYP1A2 (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3758955 0.72 TRPA1 (0.35) TLR8LMNA

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.