SCHEMBL3943935

SCHEMBL3943935

N#Cc1c(-c2ccccc2)n(CCNC(=O)C(F)(F)F)c2c(=O)[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 7/20 0.36
GAA P10253 7/20 0.36
PKM P14618 4/20 0.36
POLB P06746 3/20 0.36
GLA P06280 6/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3945508 0.90 ALDH1A1 (0.36) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3939618 0.87 HTT (0.34) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3937914 0.87 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3937495 0.86 HTT (0.33) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3937869 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL13843278 0.85 BCHE (0.38) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3944187 0.85 CTSS (0.32) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3941696 0.84 HTT (0.39) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3939498 0.84 KDM4E (0.33) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL3945084 0.83 HTT (0.33) KDM4EALDH1A1HPGDGAAPKM

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 KDM4E 1378/4885ALDH1A1 2709/4885HPGD 701/4885

“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.