SCHEMBL3941696

SCHEMBL3941696

Cc1c(C#N)c2nc[nH]c(=O)c2n1CCNC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
PKM P14618 3/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.32
BRD4 O60885 2/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CTSS P25774 1/20 0.30
PARP1 P09874 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3944851 0.89 KDM4E (0.32) ALDH1A1GAAKDM4EPKMHPGD
SCHEMBL3937968 0.85 HTT (0.38) HTTALDH1A1GAAKDM4EHPGD
SCHEMBL3943935 0.84 KDM4E (0.36) HTTALDH1A1GAAKDM4EPKM
SCHEMBL3935328 0.84 HTT (0.32) HTTALDH1A1GAAKDM4EPKM
SCHEMBL3936654 0.84 HTT (0.32) HTTALDH1A1GAAKDM4EPKM
SCHEMBL3937869 0.83 KDM4E (0.34) HTTALDH1A1GAAKDM4EPKM
SCHEMBL3939618 0.83 HTT (0.34) HTTALDH1A1GAAKDM4EPKM
SCHEMBL3937495 0.81 HTT (0.33) HTTALDH1A1GAAKDM4EPKM
SCHEMBL13843413 0.81 HTT (0.44) HTTALDH1A1KDM4EHPGDBRD4
SCHEMBL3945084 0.81 HTT (0.33) HTTALDH1A1GAAKDM4EPKM

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 3 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-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 2709/4885GAA 2655/4885

“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.