SCHEMBL4723124

SCHEMBL4723124

CCCCOc1ccc(-c2ncco2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.60
MAPT P10636 4/20 0.60
TSHR P16473 3/20 0.60
LMNA P02545 1/20 0.60
CYP2D6 P10635 12/20 0.59
CYP3A4 P08684 7/20 0.59
LTA4H P09960 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
TP53 P04637 2/20 0.57
CYP19A1 P11511 8/20 0.55
CYP2C9 P11712 8/20 0.55
CYP2C19 P33261 8/20 0.55
CYP1A2 P05177 7/20 0.55
HTT P42858 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL4724589 0.93 RAB9A (0.60) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL4722611 0.86 LTA4H (0.62) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL6328579 0.83 LTA4H (0.58) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL4314798 0.80 LTA4H (0.64) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL28330442 0.80 RAB9A (0.48) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL722557 0.79 LTA4H (0.64) LTA4H
SCHEMBL17254244 0.77 KCNJ1 (0.49) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL28015201 0.77 RAB9A (0.61) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL28362996 0.77 LTA4H (0.62) LTA4H
SCHEMBL9151170 0.77 CYP2D6 (0.76) NPC1RAB9AKDM4EHSD17B10CYP2D6

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 NPC1 3867/4885RAB9A 2943/4885KDM4E 2584/4885

“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.