SCHEMBL3946210

SCHEMBL3946210

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
PDPK1 O15530 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.35
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
DPP4 P27487 2/20 0.34
BRD4 O60885 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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 SCHEMBL3937247 0.99 HTT (0.41) HTTALDH1A1LMNAPDPK1XDH
SCHEMBL3940363 0.89 HTT (0.41) HTTALDH1A1LMNAPDPK1HSD17B10
SCHEMBL3944813 0.87 HTT (0.40) HTTALDH1A1PDPK1HSD17B10KDM4E
SCHEMBL3936795 0.86 ALDH1A1 (0.36) HTTALDH1A1LMNAXDHLRRK2
SCHEMBL7118856 0.86 HTT (0.43) HTTALDH1A1PDPK1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL3937645 0.84 PARP1 (0.40) HTTLRRK2BRD4
SCHEMBL13843307 0.83 HTT (0.39) HTTALDH1A1LMNAHSD17B10KDM4E
SCHEMBL13843319 0.83 HTT (0.39) HTTALDH1A1HSD17B10KDM4EDPP4
SCHEMBL3938948 0.82 HTT (0.48) HTTALDH1A1LMNAPDPK1LRRK2
Hydrochloric Acid SCHEMBL3937925 0.82 HTT (0.38) HTTALDH1A1LMNAHSD17B10KDM4E

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 5 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
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN 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 2709/4885LMNA 4532/4885

“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.