SCHEMBL4724445

SCHEMBL4724445

CCCOc1s[c]nc1-c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR1B P28222 4/20 0.35
HTR1D P28221 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
PGK1 P00558 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4765519 0.94 HTR1B (0.39) CNR1CNR2CHRNB4CHRNA3CHRNA7
SCHEMBL4720151 0.89 ENPP1 (0.39) CHRNB4CHRNA3CHRNA7TSHRMEN1
SCHEMBL4720658 0.82 PGK1 (0.37) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL4719956 0.79 SOAT1 (0.38) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL4720923 0.74 CNR1 (0.37) CNR1CNR2CHRNB4CHRNA3CHRNA7
SCHEMBL4724382 0.74 CNR1 (0.37) CNR1CNR2CHRNB4CHRNA3CHRNA7
SCHEMBL4722240 0.74 HTR1B (0.37) CNR1CNR2CHRNB4CHRNA3CHRNA7
SCHEMBL4721238 0.73 HTR1B (0.42) CNR1CNR2HTR1BHTR1DTSHR
SCHEMBL4724668 0.72 SOAT1 (0.43) ALDH1A1MAPTTP53MAPK1CYP1A2
SCHEMBL8543656 0.70 ALDH1A1 (0.43) TSHRMEN1KMT2AALDH1A1MAPT

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 CNR1 318/4885CNR2 385/4885CHRNB4 1234/4885

“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.