SCHEMBL4721707

SCHEMBL4721707

CCCCN[C]1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.35
TLR8 Q9NR97 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
NR4A2 P43354 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CYP1A2 P05177 1/20 0.32
SLC29A1 Q99808 1/20 0.32

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
SCHEMBL4723580 0.73 HTT (0.34) SMN1; SMN2TLR8ALDH1A1HTTTLR7
SCHEMBL3373082 0.70 SMN1; SMN2 (0.34) SMN1; SMN2TSHRKDM4EALDH1A1HTT
SCHEMBL11125149 0.69 SMN1; SMN2 (0.49) SMN1; SMN2TSHRTLR8KDM4EALDH1A1
SCHEMBL4767111 0.69 ALDH1A1 (0.34) SMN1; SMN2KDM4EALDH1A1
SCHEMBL3370162 0.67
SCHEMBL4721703 0.66 SMN1; SMN2 (0.34) SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL27831386 0.65
SCHEMBL3371595 0.63 SMN1; SMN2 (0.39) SMN1; SMN2TSHRTLR8KDM4ENPSR1
SCHEMBL23312214 0.62 MAPT (0.37) SMN1; SMN2TSHRTLR8KDM4ENPSR1
SCHEMBL15823371 0.62 SMN1; SMN2 (0.38) SMN1; SMN2TSHRTLR8KDM4EALDH1A1

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 SMN1; SMN2 4511/4885TSHR 499/4885TLR8 1678/4885

“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.