SCHEMBL4722927

SCHEMBL4722927

CCCC(CC)Nc1[c]nccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.35
TLR7 Q9NYK1 3/20 0.35
CACNA2D1 P54289 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL4720060 0.95 CACNA2D1 (0.36) TLR8TLR7CACNA2D1CYP2D6KCNH2
SCHEMBL4722713 0.90 CRHR1 (0.36) CACNA2D1CRHR1
SCHEMBL4722780 0.83 TLR8 (0.45) TLR8TLR7CACNA2D1CYP2D6
SCHEMBL4722598 0.79 HSP90AA1 (0.44) TLR8TLR7
SCHEMBL4721032 0.79 TAS1R3 (0.31) TAS1R3TAS1R1
SCHEMBL4723504 0.75 TAS1R3 (0.33) CACNA2D1TAS1R3TAS1R1KCNH2
SCHEMBL2067385 0.74 TDP1 (0.37) TLR7
SCHEMBL4722578 0.73
SCHEMBL2068624 0.72 KDM4E (0.38) TLR7
SCHEMBL4723656 0.71 KCNH2 (0.31) TLR8TLR7CACNA2D1CYP2D6KCNH2

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 1678/4885TLR7 1453/4885CACNA2D1 2309/4885

“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.