SCHEMBL4765499

SCHEMBL4765499

CCCCNc1[c]c2c(cc1)-c1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 4/20 0.33
SIGMAR1 Q99720 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
BACE1 P56817 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL4723288 0.92 NPC1 (0.38) ALDH1A1APAF1NPC1RAB9ALMNA
SCHEMBL4724574 0.85 NPC1 (0.37) ALDH1A1NPC1RAB9ABCHELMNA
SCHEMBL4723421 0.78 NPC1 (0.35) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL4723782 0.77 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ABCHELMNA
SCHEMBL4724519 0.77 NPC1 (0.36) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL4723526 0.76 NPC1 (0.35) ALDH1A1NPC1RAB9ALMNANPSR1
SCHEMBL215716 0.75 NPC1 (0.36) ALDH1A1NPC1RAB9ALMNASIGMAR1
SCHEMBL4721786 0.75 CYP3A4 (0.35) ALDH1A1NPC1RAB9ALMNANPSR1
SCHEMBL4721729 0.75 NPC1 (0.34) NPC1RAB9ACYP1A2
SCHEMBL216506 0.74 NPC1 (0.35) ALDH1A1NPC1RAB9ALMNASIGMAR1

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 ALDH1A1 622/4885APAF1 2458/4885NPC1 3867/4885

“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.