SCHEMBL4722240

SCHEMBL4722240

CCCOc1[nH][c]nc1-c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.37
HTR1D P28221 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
BCHE P06276 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 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
SCHEMBL5097262 0.94 TLR8 (0.39) HTR1BHTR1DCNR2CNR1BCHE
SCHEMBL4764109 0.89 ENPP1 (0.39) BCHECHRNB4CHRNA3CHRNA7TLR8
SCHEMBL4720928 0.76 CNR1 (0.37) HTR1BHTR1DCNR2CNR1CHRNB4
SCHEMBL4724445 0.74 CNR1 (0.37) HTR1BHTR1DCNR2CNR1BCHE
SCHEMBL4720923 0.74 CNR1 (0.37) HTR1BHTR1DCNR2CNR1BCHE
SCHEMBL4721238 0.73 HTR1B (0.42) HTR1BHTR1DCNR2CNR1TLR8
SCHEMBL8564303 0.70 BCHE (0.38) CNR2BCHEALDH1A1MAPTSMN1; SMN2
SCHEMBL4724147 0.70 HTR1B (0.39) HTR1BHTR1DCNR2CNR1CHRNB4
SCHEMBL4721430 0.69 S1PR1 (0.39) HTR1BHTR1DCNR2CNR1CHRNB4
SCHEMBL28075369 0.69 HTR1B (0.54) HTR1BHTR1DCNR2CNR1

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 HTR1B 111/4885HTR1D 94/4885CNR2 385/4885

“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.