SCHEMBL4720960

SCHEMBL4720960

CCOc1o[c]nc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
BCHE P06276 1/20 0.38
FDPS P14324 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
PGK1 P00558 1/20 0.35
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 2/20 0.34
HTR2C P28335 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 2/20 0.34
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4720923 0.89 CNR1 (0.37) ENPP1S1PR1S1PR3BCHECHRNB4
SCHEMBL4720155 0.88 TDP1 (0.39) BCHECHRNB4CHRNA3CHRNA7ALOX15
SCHEMBL4767199 0.84 BCHE (0.38) ENPP1BCHEPGK1ALOX15ALDH1A1
SCHEMBL4722610 0.76 NPC1 (0.41) ALDH1A1MAPTTP53L3MBTL1MEN1
SCHEMBL4720151 0.72 ENPP1 (0.39) ENPP1S1PR1S1PR3BCHEFDPS
SCHEMBL4764109 0.72 ENPP1 (0.39) ENPP1S1PR1S1PR3BCHEFDPS
SCHEMBL4724593 0.72 S1PR1 (0.44) ENPP1S1PR1S1PR3FDPSCHRNB4
SCHEMBL4724523 0.71 S1PR1 (0.44) ENPP1S1PR1S1PR3BCHEFDPS
SCHEMBL4720245 0.68 S1PR1 (0.45) ENPP1S1PR1S1PR3FDPSCHRNB4
SCHEMBL10823555 0.67 ENPP1 (0.57) ENPP1S1PR1S1PR3ALDH1A1TSHR

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 ENPP1 414/4885S1PR1 618/4885S1PR3 346/4885

“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.