SCHEMBL4723333

SCHEMBL4723333

CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(SCc3ccco3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.61
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 1/20 0.51
GPR55 Q9Y2T6 1/20 0.46
CASP7 P55210 1/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4720299 0.91 P2RY12 (0.68) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL4721818 0.87 P2RY12 (0.67) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL4722392 0.86 P2RY12 (0.66) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL5849483 0.85 P2RY12 (0.70) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL4722718 0.85 P2RY12 (0.65) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL14130779 0.85 P2RY12 (0.65) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL4720838 0.85 P2RY12 (0.65) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL4899183 0.85 P2RY12 (0.66) P2RY12ALDH1A1MEN1KMT2AGPR55
SCHEMBL4723447 0.84 P2RY12 (0.64) P2RY12ALDH1A1MEN1KMT2ACASP7
SCHEMBL4764098 0.84 P2RY12 (0.63) P2RY12ALDH1A1MEN1KMT2A

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 5 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
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
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 17/4885ALDH1A1 622/4885MEN1 4451/4885

“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.