SCHEMBL4581252

SCHEMBL4581252

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.43
ITK Q08881 2/20 0.40
GLS O94925 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
SCN9A Q15858 4/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
NAMPT P43490 4/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL17068363 0.87 ITK (0.52) SLC40A1ITKGLSADORA2AADORA2B
SCHEMBL15741564 0.84 CCNC (0.39) SLC40A1ITKCCNCCDK8
SCHEMBL4580768 0.83 MAPK8 (0.54) CCNCCDK8MAPK8MAPK9MAPK10
SCHEMBL4581180 0.83 RAB9A (0.48) ITKGLSCCNCCDK8SCN9A
SCHEMBL4581018 0.83 CYP1A2 (0.48) CCNCCDK8SCN10ANAMPT
SCHEMBL4579300 0.83 SMN1; SMN2 (0.47) CCNCCDK8MAPK8MAPK9MAPK10
SCHEMBL15741796 0.83 HPGD (0.44) CCNCCDK8
SCHEMBL4581621 0.77 MKNK1 (0.45) SLC40A1ITKGLSNAMPTTRPV1
SCHEMBL15741563 0.77 CHEK2 (0.40) CCNCCDK8
SCHEMBL5317484 0.76 ALDH1A1 (0.50) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922540-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. Hoffmann-La Roche AG (CH) 2015-09-30 EP claimed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO claimed
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 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-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
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO 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 (3 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 SLC40A1 2308/4885ITK 3655/4885GLS 1424/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 SLC40A1 2308/4885ITK 3655/4885GLS 1424/4885
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 SLC40A1 1881/4885ITK 2018/4885GLS 724/4885

“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.