SCHEMBL3945684

SCHEMBL3945684

COc1ccccc1-c1[nH]c2c(=S)[nH]cnc2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
FYN P06241 1/20 0.38
ABL1 P00519 1/20 0.37
RAD52 P43351 1/20 0.37
RIN1 Q13671 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
HSD17B10 Q99714 3/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL3944832 0.86 HTT (0.48) HTTIDO1ALDH1A1KDM4EHPGD
SCHEMBL20828260 0.70 HTT (0.54) HTTALDH1A1KDM4EHPGDPDE10A
SCHEMBL13946131 0.69 HTT (0.58) HTTIDO1ALDH1A1KDM4EHPGD
SCHEMBL29554478 0.69 HTT (0.58) HTTIDO1ALDH1A1KDM4EHPGD
SCHEMBL3938123 0.68 ACMSD (0.41) ALDH1A1KDM4E
SCHEMBL27616280 0.68 BRD4 (0.46) HTTIDO1ABL1RAD52RIN1
SCHEMBL30581184 0.65 IDO1 (0.66) IDO1DCUN1D1ALDH1A1KDM4EHPGD
SCHEMBL10397598 0.65 IDO1 (0.66) IDO1DCUN1D1ALDH1A1KDM4EHPGD
SCHEMBL24343867 0.65 PDE10A (0.47) HTTALDH1A1KDM4EHPGDADORA2A
SCHEMBL29535263 0.65 PDE10A (0.47) HTTALDH1A1KDM4EHPGDADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 EP 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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP HTT 3815/4885IDO1 78/4885DCUN1D1 2522/4885

“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.