SCHEMBL3944975

SCHEMBL3944975

N#Cc1c(-c2ccccc2)n(CCc2ccccc2C(=O)O)c2c(=O)[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
IP6K1 Q92551 1/20 0.34
GRIA4 P48058 4/20 0.33
PDPK1 O15530 1/20 0.33
FOLH1 Q04609 1/20 0.33
GRIA2 P42262 2/20 0.32
EIF4EBP1 Q13541 2/20 0.32
HTR2A P28223 1/20 0.32
HTR4 Q13639 1/20 0.32
BRS3 P32247 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ACMSD Q8TDX5 2/20 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
SCHEMBL3940363 0.84 HTT (0.41) HTTPDPK1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3944813 0.82 HTT (0.40) HTTPDPK1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3946210 0.81 HTT (0.41) HTTPDPK1KDM4EHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3937247 0.81 HTT (0.41) HTTPDPK1KDM4EHSD17B10ALDH1A1
SCHEMBL7118856 0.79 HTT (0.43) HTTPDPK1KDM4EALOX15SMN1; SMN2
SCHEMBL3937914 0.79 ALDH1A1 (0.50) HTTPDPK1KDM4EALOX15SMN1; SMN2
SCHEMBL13843369 0.79 KDM4E (0.43) HTTEIF4EBP1KDM4EALOX15SMN1; SMN2
SCHEMBL3938582 0.78 KDM4E (0.42) KDM4EALOX15SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3943935 0.77 KDM4E (0.36) HTTKDM4EHSD17B10ALDH1A1PIM1
SCHEMBL3938948 0.76 HTT (0.48) HTTGRIA4PDPK1GRIA2KDM4E

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 3815/4885IP6K1 880/4885GRIA4 882/4885

“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.