SCHEMBL3940877

SCHEMBL3940877

N#Cc1c(-c2cccc(CN)c2)[nH]c2c(=S)[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
CDK8 P49336 1/20 0.36
ACMSD Q8TDX5 1/20 0.34
AKT2 P31751 2/20 0.34
MGMT P16455 1/20 0.33
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
RAB9A P51151 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31

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
SCHEMBL3937317 0.73 IDO1 (0.35) DYRK1AALDH1A1KDM4EMAPTALOX15
SCHEMBL3938123 0.71 ACMSD (0.41) DYRK1AACMSDALDH1A1KDM4E
SCHEMBL3938196 0.71 ALDH1A1 (0.35) DYRK1AALDH1A1KDM4EMAPTHPGD
SCHEMBL28842633 0.70 DYRK1A (0.46) DYRK1AALDH1A1KDM4EMAPTCHEK1
SCHEMBL3945684 0.68 HTT (0.41) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL3935637 0.67 DYRK1A (0.49) DYRK1AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3936795 0.61 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTALOX15HSD17B10
SCHEMBL13843299 0.60 KCNMA1 (0.51) AKT2ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL20946379 0.60 LOXL2 (0.53) ALDH1A1HSD17B10
SCHEMBL16368530 0.60 CYP19A1 (0.56) ALDH1A1KDM4EHSD17B10HPGD

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 DYRK1A 1168/4885CDK8 446/4885ACMSD 2797/4885

“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.