SCHEMBL3939618

SCHEMBL3939618

N#Cc1c(-c2c(F)cccc2F)n(CCNC(=O)C(F)(F)F)c2c(=O)[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
PARP1 P09874 3/20 0.34
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 6/20 0.33
GAA P10253 5/20 0.33
GLA P06280 5/20 0.33
PKM P14618 4/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 3/20 0.32
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL3944568 0.90 KDM4E (0.32) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL3943935 0.87 KDM4E (0.36) HTTKDM4EALDH1A1HPGDGAA
SCHEMBL13843441 0.85 PARP1 (0.38) HTTPARP1
SCHEMBL3937869 0.84 KDM4E (0.34) HTTKDM4EALDH1A1HPGDGAA
SCHEMBL3937495 0.84 HTT (0.33) HTTKDM4EALDH1A1HPGDGAA
SCHEMBL3941696 0.83 HTT (0.39) HTTPARP1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3937645 0.82 PARP1 (0.40) HTTPARP1
SCHEMBL3945084 0.82 HTT (0.33) HTTKDM4EALDH1A1HPGDGAA
SCHEMBL3936654 0.81 HTT (0.32) HTTKDM4EALDH1A1HPGDGAA
SCHEMBL3935328 0.81 HTT (0.32) HTTKDM4EALDH1A1HPGDGAA

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-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

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 3815/4885PARP1 100/4885KDM4E 1378/4885

“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.