SCHEMBL3945481

SCHEMBL3945481

Cc1c(C#N)c2nc[nH]c(=S)c2n1CCN

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30

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
Hydrochloric Acid SCHEMBL3937144 0.83 HTT (0.45) HTTALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL3943320 0.82 HTT (0.33) HTTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3936795 0.81 ALDH1A1 (0.36) HTTALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL3947587 0.80 MAPK14 (0.33)
SCHEMBL3935854 0.80 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL3946011 0.80 MAPK1 (0.35) ALDH1A1KDM4EHSD17B10
SCHEMBL3946110 0.79 LRRK2 (0.31) HTT
SCHEMBL3941215 0.77 ADORA1 (0.34) ALDH1A1KDM4EHSD17B10
SCHEMBL3944968 0.76 PIK3CD (0.30)
SCHEMBL7126242 0.75 HTT (0.34) HTTALDH1A1KDM4EHSD17B10CYP1A2

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 3815/4885ALDH1A1 2709/4885KDM4E 1378/4885

“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.