SCHEMBL3946110

SCHEMBL3946110

N#Cc1c(-c2c(F)cccc2F)n(CCN)c2c(=S)[nH]cnc12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.31
PARP1 P09874 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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 SCHEMBL3937645 0.86 PARP1 (0.40) LRRK2PARP1HTTPRMT5WDR77
SCHEMBL3936795 0.84 ALDH1A1 (0.36) LRRK2LMNAMAPTHTT
SCHEMBL3944568 0.82 KDM4E (0.32) LMNA
SCHEMBL3946011 0.81 MAPK1 (0.35)
SCHEMBL3941215 0.81 ADORA1 (0.34) LMNAMAPTTSHR
SCHEMBL3945481 0.79 HTT (0.33) HTT
SCHEMBL4132211 0.78 ALDH1A1 (0.34) LRRK2LMNAMAPTHTT
SCHEMBL3947587 0.77 MAPK14 (0.33)
SCHEMBL3944968 0.77 PIK3CD (0.30)
SCHEMBL3935854 0.77 ALDH1A1 (0.34) LMNAMAPT

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 LRRK2 579/4885PARP1 100/4885LMNA 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.