SCHEMBL4721786

SCHEMBL4721786

CCC(C)Nc1[c]c2c(cc1)-c1ccccc1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL4723421 0.89 NPC1 (0.35) CYP3A4ALDH1A1HSD17B10SMN1; SMN2CYP1A2
SCHEMBL4723526 0.87 NPC1 (0.35) CYP3A4ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4719922 0.85 MALT1 (0.35) CYP3A4ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4721729 0.83 NPC1 (0.34) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL4724519 0.82 NPC1 (0.36) CYP3A4ALDH1A1HSD17B10SMN1; SMN2CYP1A2
SCHEMBL4724574 0.80 NPC1 (0.37) CYP3A4ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4723782 0.77 ALDH1A1 (0.37) CYP3A4ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4723288 0.77 NPC1 (0.38) CYP3A4ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL3058003 0.75 CYP1A2 (0.37) CYP3A4ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4765499 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRTDP1L3MBTL1

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 CYP3A4 152/4885ALDH1A1 622/4885HSD17B10 4259/4885

“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.