SCHEMBL4719732

SCHEMBL4719732

CCCCOc1ccn[c]c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP1A2 P05177 4/20 0.42
TLR8 Q9NR97 3/20 0.41
CYP19A1 P11511 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP3A4 P08684 3/20 0.40
LTA4H P09960 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
CDC7 O00311 1/20 0.36

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
SCHEMBL4723779 0.92 TLR8 (0.40) TLR8NPC1ALDH1A1MAPTRAB9A
SCHEMBL4765578 0.86 ALDH1A1 (0.38) TLR8LTA4HKDM4ENPC1ALDH1A1
SCHEMBL4721628 0.78 HTR1B (0.47) CYP2C9CYP2C19CYP1A2TLR8CYP19A1
SCHEMBL4765696 0.78 CYP2C9 (0.41) CYP2C9CYP2C19CYP1A2TLR8CYP19A1
SCHEMBL3766619 0.77 CA12 (0.38) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL4765647 0.73 CYP2C9 (0.46) CYP2C9CYP2C19CYP1A2TLR8CYP19A1
SCHEMBL4723292 0.71 CYP2C9 (0.44) CYP2C9CYP2C19CYP1A2TLR8CYP19A1
SCHEMBL4724637 0.71 HTR1B (0.43) TLR8NPC1ALDH1A1MAPTHPGD
SCHEMBL3758958 0.70 SMN1; SMN2 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3867576 0.70 NR1I2 (0.46) CYP2C9CYP2C19CYP1A2TLR8CYP3A4

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 CYP2C9 303/4885CYP2C19 195/4885CYP1A2 427/4885

“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.