SCHEMBL4723742

SCHEMBL4723742

CCCOc1ccc[c]c1Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TLR8 Q9NR97 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 3/20 0.33
PKM P14618 2/20 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
SCHEMBL4724774 0.93 CYP1A2 (0.45) SLC6A9MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4720046 0.88 ALDH1A1 (0.41) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL4724534 0.79 HTR1B (0.44) SLC6A4HTR1B
SCHEMBL4720824 0.79 CA1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9717727 0.74 LMNA (0.37) KMT2AL3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL4765333 0.72 HTR1B (0.47) CYP1A2CYP2C9CYP2C19L3MBTL1SLC6A4
SCHEMBL1404339 0.72 MCHR1 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10515437 0.72 HTR2C (0.40) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8573228 0.72 SLC6A9 (0.41) SLC6A9MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7836421 0.71 MCHR1 (0.46) CYP1A2CYP2C9CYP2C19TLR8MCHR1

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 SLC6A9 3529/4885MEN1 4451/4885KMT2A 3345/4885

“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.