SCHEMBL4722698

SCHEMBL4722698

CCOc1c[nH][c]c1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
GUSB P08236 1/20 0.39
HTR1B P28222 4/20 0.38
ALOX5 P09917 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
FDPS P14324 1/20 0.34
HTR1D P28221 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
SCHEMBL4724769 0.89 CNR1 (0.43) HTR1BTSHRCHRNB4CHRNA3CHRNA7
SCHEMBL4722874 0.88 HTR1B (0.45) HTR1BCHRNB4CHRNA3CHRNA7HTR1D
SCHEMBL4723193 0.84 MAPT (0.42) KDM4EHPGD
SCHEMBL4723591 0.76 ENPP1 (0.42) ENPP1S1PR1S1PR3GUSBHTR1B
SCHEMBL4724628 0.75 ENPP1 (0.49) ENPP1S1PR1S1PR3GUSBHTR1B
SCHEMBL5104126 0.75 ALDH1A1 (0.39) TSHRKDM4ELMNAHPGD
SCHEMBL10823555 0.75 ENPP1 (0.57) ENPP1S1PR1S1PR3GUSBHTR1B
SCHEMBL4724855 0.73 ENPP1 (0.44) ENPP1S1PR1S1PR3GUSBHTR1B
SCHEMBL4723129 0.72 ENPP1 (0.44) ENPP1S1PR1S1PR3GUSBALOX5
SCHEMBL12223406 0.71 ALOX5 (0.57) ENPP1S1PR1S1PR3ALOX5DRD2

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.