SCHEMBL3935328

SCHEMBL3935328

Cc1ccsc1-c1c(C#N)c2nc[nH]c(=O)c2n1CCNC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 3/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL3944962 0.91 KDM4E (0.31) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3945084 0.91 HTT (0.33) HTTKDM4EALDH1A1GLAGAA
SCHEMBL13843282 0.87 L3MBTL1 (0.36) HTTKDM4EALDH1A1GLAGAA
SCHEMBL3936568 0.84 KDM4E (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3941696 0.84 HTT (0.39) HTTKDM4EALDH1A1GLAGAA
SCHEMBL3936654 0.83 HTT (0.32) HTTKDM4EALDH1A1GLAGAA
SCHEMBL3938534 0.83 KDM4E (0.31) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3943935 0.83 KDM4E (0.36) HTTKDM4EALDH1A1GLAGAA
SCHEMBL3946001 0.82 HTT (0.38) HTTPOLB
SCHEMBL3937869 0.81 KDM4E (0.34) HTTKDM4EALDH1A1GLAGAA

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 3815/4885KDM4E 1378/4885ALDH1A1 2709/4885

“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.