SCHEMBL4724451

SCHEMBL4724451

CCc1cc2c(N3CCN(C(=O)c4cccc(OC)c4)CC3)nc(SCC(=O)O)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMO Q99835 1/20 0.45

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
SCHEMBL4723342 0.93 P2RY12 (0.54) P2RY12MEN1ALDH1A1
SCHEMBL14130688 0.93 P2RY12 (0.52) P2RY12MEN1ALDH1A1HPGD
SCHEMBL4763267 0.92 P2RY12 (0.55) P2RY12MEN1SMO
SCHEMBL4765611 0.90 P2RY12 (0.65) P2RY12MEN1ALDH1A1
SCHEMBL4723866 0.89 P2RY12 (0.55) P2RY12MEN1ALDH1A1
SCHEMBL5104262 0.88 P2RY12 (0.61) P2RY12MEN1
SCHEMBL4724108 0.88 P2RY12 (0.57) P2RY12MEN1
SCHEMBL5111054 0.88 P2RY12 (0.52) P2RY12MEN1ALDH1A1SMO
SCHEMBL4723696 0.87 P2RY12 (0.53) P2RY12MEN1ALDH1A1
SCHEMBL14130689 0.86 P2RY12 (0.51) P2RY12MEN1ALDH1A1

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 P2RY12 17/4885MEN1 4451/4885ALDH1A1 622/4885

“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.