SCHEMBL4724581

SCHEMBL4724581

CCCOc1ccccc1-n1[c]cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
TLR8 Q9NR97 1/20 0.38
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HTR1B P28222 2/20 0.35
PDE5A O76074 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2B P41595 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1D P28221 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL4720473 0.93 CYP1A2 (0.43) MCHR1TLR8TP53DRD2DRD3
SCHEMBL4720422 0.88 ALDH1A1 (0.45) DRD2DRD3ALDH1A1
SCHEMBL4720438 0.80 DRD2 (0.42) DRD2DRD3HTR1ACYP2C19ALDH1A1
SCHEMBL4921048 0.69 MEN1 (0.32) TLR8SMN1; SMN2ALDH1A1
SCHEMBL4722612 0.69 SMN1; SMN2 (0.38) MCHR1TLR8ATMSMN1; SMN2DRD2
1,2-Dipropoxybenzene SCHEMBL578657 0.68 CYP1A2 (0.56) MCHR1TLR8ATMTP53HTR2B
1,2-Dipropoxybenzene SCHEMBL29428926 0.68 CYP1A2 (0.56) MCHR1TLR8ATMTP53HTR2B
SCHEMBL15228167 0.68 TSHR (0.57) TLR8TP53SMN1; SMN2ALDH1A1
SCHEMBL718221 0.67 KDM4E (0.37) ATMSMN1; SMN2ALDH1A1
SCHEMBL4724604 0.67 TLR8 (0.38) MCHR1TLR8SMN1; SMN2DRD2DRD3

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 MCHR1 3639/4885TLR8 1678/4885ATM 2867/4885

“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.