SCHEMBL3936795

SCHEMBL3936795

N#Cc1c(-c2ccccc2)n(CCN)c2c(=S)[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
LMNA P02545 5/20 0.36
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
ADORA1 P30542 6/20 0.34
DPP4 P27487 1/20 0.33
ADORA2A P29274 5/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4132211 0.93 ALDH1A1 (0.34) ALDH1A1LMNALRRK2KDM4EHSD17B10
SCHEMBL3946210 0.86 HTT (0.41) ALDH1A1LMNALRRK2KDM4EHSD17B10
SCHEMBL7125506 0.86 ALDH1A1 (0.39) ALDH1A1LMNALRRK2KDM4EHSD17B10
SCHEMBL3936582 0.86 ALDH1A1 (0.35) ALDH1A1LMNALRRK2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3937247 0.85 HTT (0.41) ALDH1A1LMNALRRK2KDM4EHSD17B10
SCHEMBL13843306 0.85 HTT (0.37) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL3946110 0.84 LRRK2 (0.31) LMNALRRK2MAPTHTT
SCHEMBL3935452 0.84 TBXAS1 (0.36) LMNAKDM4EHSD17B10MAPTALOX15
SCHEMBL3945999 0.83 DRD2 (0.38) ALDH1A1LRRK2KDM4EHSD17B10HTT
SCHEMBL3943576 0.83 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EMAPTHPGD

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 ALDH1A1 2709/4885LMNA 4532/4885LRRK2 579/4885

“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.