SCHEMBL4720726

SCHEMBL4720726

CCCCOc1on[c]c1-c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTR1B P28222 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CNR1 P21554 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
HTR1D P28221 1/20 0.37
ALOX15 P16050 3/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL4724526 0.94 S1PR1 (0.38) TLR8TDP1HTR1BL3MBTL1GAA
SCHEMBL4724593 0.88 S1PR1 (0.44) TLR8TDP1L3MBTL1CHRNB4CHRNA3
SCHEMBL4724379 0.81 ALOX15 (0.40) TDP1L3MBTL1CYP1A2CYP2C19GAA
SCHEMBL4722708 0.78 LTA4H (0.40) CYP1A2CYP19A1CYP2C9CYP2C19GAA
SCHEMBL4721628 0.74 HTR1B (0.47) TLR8TDP1HTR1BL3MBTL1CYP1A2
SCHEMBL4720155 0.74 TDP1 (0.39) TLR8TDP1HTR1BL3MBTL1CYP1A2
SCHEMBL4723786 0.74 HTR1B (0.39) TLR8TDP1HTR1BL3MBTL1CYP2C9
SCHEMBL4724147 0.74 HTR1B (0.39) TLR8TDP1HTR1BL3MBTL1CYP2C9
SCHEMBL5083217 0.74 SOAT1 (0.41) TLR8CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL4767284 0.74 HTR1B (0.46) TDP1HTR1BL3MBTL1CYP1A2CYP19A1

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 TLR8 1678/4885TDP1 1332/4885HTR1B 111/4885

“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.