SCHEMBL4721748

SCHEMBL4721748

CCOc1cnn[c]c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AOC3 Q16853 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CDK5 Q00535 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
SCHEMBL4721580 0.88 MAPT (0.36) ALDH1A1NPC1RAB9AL3MBTL1MEN1
SCHEMBL4765696 0.86 CYP2C9 (0.41) TP53ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4764097 0.81 PDGFRB (0.41) ALDH1A1NPC1RAB9AKDM4EGLA
SCHEMBL4765578 0.75 ALDH1A1 (0.38) GRM5TP53ALDH1A1NPC1RAB9A
SCHEMBL1551998 0.70 AXL (0.36) ALDH1A1NPC1RAB9AHSD17B10HPGD
SCHEMBL4764105 0.69 ADORA1 (0.42) TP53ALDH1A1NPC1RAB9AADORA1
SCHEMBL12489288 0.69 MAPT (0.42) GRM5TP53ALDH1A1NPC1RAB9A
SCHEMBL11382454 0.68 ALDH1A1 (0.44) GRM5TP53ALDH1A1NPC1RAB9A
SCHEMBL5104126 0.67 ALDH1A1 (0.39) TP53ALDH1A1NPC1RAB9AADORA1
SCHEMBL4721792 0.66 KDM4E (0.41) TP53ALDH1A1NPC1RAB9AKDM4E

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 GRM5 1362/4885TP53 3360/4885ALDH1A1 622/4885

“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.