SCHEMBL4724604

SCHEMBL4724604

CCCOc1ccccc1-n1cc[c]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
MCHR1 Q99705 1/20 0.38
PDE5A O76074 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CACNA2D1 P54289 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4720938 0.93 CYP1A2 (0.44) TLR8MCHR1DRD2DRD3BRD4
SCHEMBL4723413 0.88 ALDH1A1 (0.46) SMN1; SMN2DRD2DRD3ALDH1A1CACNA2D1
SCHEMBL558506 0.80 DRD2 (0.44) DRD2DRD3CYP2C19ALDH1A1LMNA
SCHEMBL4722612 0.73 SMN1; SMN2 (0.38) TLR8MCHR1PDE5ASMN1; SMN2DRD2
SCHEMBL4210503 0.72 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL4723337 0.71 MCHR1 (0.41) TLR8MCHR1PDE5ASMN1; SMN2DRD2
1,2-Dipropoxybenzene SCHEMBL578657 0.69 CYP1A2 (0.56) TLR8MCHR1CYP1A2CYP2C9CYP2C19
1,2-Dipropoxybenzene SCHEMBL29428926 0.69 CYP1A2 (0.56) TLR8MCHR1CYP1A2CYP2C9CYP2C19
1,2-Dipropoxybenzene SCHEMBL8910053 0.67 CYP1A2 (0.54) TLR8MCHR1CYP1A2CYP2C9CYP2C19
SCHEMBL17797064 0.67 APLNR (0.36) SLC6A2PDE2APDE10A

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 1678/4885MCHR1 3639/4885PDE5A 269/4885

“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.