SCHEMBL4723782

SCHEMBL4723782

CNc1[c]c2c(cc1)-c1ccccc1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 3/20 0.36
MAOA P21397 2/20 0.36
ADRA2A P08913 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.34
SRD5A2 P31213 1/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL4724574 0.82 NPC1 (0.37) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4719922 0.82 MALT1 (0.35) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL8854657 0.80 RAB9A (0.36) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4723288 0.80 NPC1 (0.38) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4723526 0.79 NPC1 (0.35) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4721786 0.77 CYP3A4 (0.35) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4765499 0.77 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL18243664 0.77 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL216980 0.77 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4724519 0.76 NPC1 (0.36) ALDH1A1NPC1RAB9AMAPTHPGD

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 622/4885NPC1 3867/4885RAB9A 2943/4885

“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.