SCHEMBL4723580

SCHEMBL4723580

CCCCN[C]1COCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 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
SCHEMBL4764032 0.88
SCHEMBL4722816 0.79
SCHEMBL3373082 0.74 SMN1; SMN2 (0.34) HTTALDH1A1SMN1; SMN2
SCHEMBL4767111 0.73 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL4721707 0.73 SMN1; SMN2 (0.38) HTTALDH1A1SMN1; SMN2TLR8TLR7
SCHEMBL4724092 0.68
SCHEMBL4721703 0.67 SMN1; SMN2 (0.34) HTTALDH1A1SMN1; SMN2
Dioxane SCHEMBL27974379 0.65 TSHR (0.55) HTTALDH1A1SMN1; SMN2
SCHEMBL4723576 0.64 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2
Dioxane SCHEMBL6826845 0.62 TSHR (0.58) HTTALDH1A1SMN1; SMN2

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 HTT 2486/4885ALDH1A1 622/4885SMN1; SMN2 4511/4885

“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.