SCHEMBL4723461

SCHEMBL4723461

CCCCNc1ncco1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.45
NPC1 O15118 1/20 0.40
ELANE P08246 5/20 0.39
UTS2R Q9UKP6 5/20 0.38
HRH4 Q9H3N8 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HCAR3 P49019 1/20 0.35
FAAH O00519 2/20 0.35
CES1 P23141 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MERTK Q12866 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
SCHEMBL3189851 0.94 TLR8 (0.40) TLR8NPC1ELANEUTS2RHCAR3
SCHEMBL4765496 0.88
SCHEMBL31213576 0.78 NUDT1 (0.39) MERTK
Hydrochloric Acid SCHEMBL14744482 0.78 KDM4E (0.33) NPC1ELANEUTS2R
SCHEMBL11278949 0.76
SCHEMBL4587820 0.71
SCHEMBL13404106 0.71 NUDT1 (0.43) ELANEHRH4
SCHEMBL16058612 0.70 HPGD (0.47)
SCHEMBL7548877 0.70 UTS2R (0.40) TLR8ELANEUTS2RCYP2D6HCAR3
SCHEMBL7091214 0.69 LMNA (0.50) NPC1FAAHCES1

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 TLR8 1678/4885NPC1 3867/4885ELANE 2494/4885

“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.