SCHEMBL4580110

SCHEMBL4580110

CC(C)(C)OC(=O)Nc1ccc2cncc(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CYP17A1 P05093 2/20 0.36
ATR Q13535 1/20 0.36
BCL2 P10415 1/20 0.36
LCK P06239 3/20 0.34
SCN9A Q15858 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL30075068 0.78 GSK3B (0.40) GSK3BDYRK1ARAB9ANPC1KMT2A
SCHEMBL21566100 0.78 GSK3B (0.40) GSK3BDYRK1ARAB9ANPC1KMT2A
SCHEMBL1181120 0.76 RAB9A (0.52) RAB9ANPC1KMT2ALCKSMN1; SMN2
SCHEMBL17437224 0.76 LATS1 (0.39) HDAC3HDAC1HDAC2HDAC8
SCHEMBL4296569 0.76 ROCK2 (0.47) GSK3BDYRK1ARAB9ANAMPTCYP17A1
SCHEMBL17981450 0.75 CA12 (0.44) NAMPTCYP17A1HDAC3HDAC1HDAC2
SCHEMBL31627174 0.75 ATR (0.45) GSK3BDYRK1ARAB9ANPC1KMT2A
SCHEMBL28058777 0.75 GSK3B (0.39) GSK3BDYRK1ARAB9ANPC1KMT2A
SCHEMBL31226665 0.75 GSK3B (0.39) GSK3BDYRK1ARAB9ANPC1KMT2A
SCHEMBL23552525 0.74 GRM4 (0.39) GSK3BDYRK1ARAB9ANPC1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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 (2 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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 GSK3B 1400/4885DYRK1A 1287/4885RAB9A 1040/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 GSK3B 1400/4885DYRK1A 1287/4885RAB9A 1040/4885

“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.