SCHEMBL4721963

SCHEMBL4721963

CCCOc1cn[c]nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SOAT1 P35610 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTR7 P34969 1/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
TP53 P04637 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ADRB2 P07550 1/20 0.34
GAA P10253 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
SCHEMBL4720917 0.93 ATP4A (0.42) TLR8MAPTSOAT1ATP4AATP4B
SCHEMBL4722126 0.88 MAPT (0.41) TLR8LMNAMAPTTP53GAA
SCHEMBL558010 0.79 KDM4E (0.42) LMNAMAPTNPSR1GAA
SCHEMBL4721238 0.78 HTR1B (0.42) TLR8TSHR
SCHEMBL7546086 0.74 CYP2C9 (0.50) TLR8
SCHEMBL4723469 0.72 HTR1B (0.46) TLR8GAA
SCHEMBL27463979 0.70 CDK1 (0.41) TLR8LMNAMAPTTSHRNPSR1
SCHEMBL29360448 0.70 TLR8 (0.64) TLR8GAA
SCHEMBL558235 0.70 PDE10A (0.43) LMNAMAPTNPSR1HTR7GAA
SCHEMBL4719956 0.69 SOAT1 (0.38) LMNAMAPTTSHRNPSR1SOAT1

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 1678/4885LMNA 2692/4885MAPT 4361/4885

“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.