SCHEMBL3943684

SCHEMBL3943684

N#Cc1c(-c2ccco2)n(CCCNC(=O)C(F)(F)F)c2c(Cl)ncnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
SAE1 Q9UBE0 2/20 0.33
UBA2 Q9UBT2 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3R2 O00459 2/20 0.33
PIK3CG P48736 2/20 0.33
USP7 Q93009 1/20 0.33
ABCC1 P33527 2/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
SCD5 Q86SK9 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
HPGD P15428 2/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 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
SCHEMBL3936546 0.95 USP7 (0.34) GSK3BSAE1UBA2USP7ABCC1
SCHEMBL13843279 0.84 KMT2A (0.34) SAE1UBA2USP7MEN1KMT2A
SCHEMBL3942999 0.84 SAE1 (0.33) GSK3BSAE1UBA2USP7MEN1
SCHEMBL3936262 0.83 KDM4E (0.33) GSK3BSAE1UBA2USP7MEN1
SCHEMBL3940173 0.80 KDM4E (0.31) KDM4EALDH1A1HPGDLMNAP2RX3
SCHEMBL3937495 0.79 HTT (0.33) SAE1UBA2USP7MEN1KMT2A
SCHEMBL3942305 0.78 KDM4E (0.35) SAE1UBA2USP7MEN1KMT2A
SCHEMBL3944613 0.76 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL3936568 0.75 KDM4E (0.32) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL3944187 0.71 CTSS (0.32) SAE1UBA2MEN1KMT2AKDM4E

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 GSK3B 1/4885SAE1 2822/4885UBA2 4716/4885

“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.