SCHEMBL15747682

SCHEMBL15747682

O=C(NCc1ccncc1)c1ccc2cncc(-c3cccnc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MMP13 P45452 2/20 0.46
ADRA2C P18825 1/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
NAMPT P43490 1/20 0.43
TSHR P16473 2/20 0.42
GSK3B P49841 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL17061098 0.93 KMT2A (0.53) SMN1; SMN2MMP13HTTKMT2ARAB9A
SCHEMBL15747561 0.91 SMN1; SMN2 (0.54) SMN1; SMN2MMP13HDAC3HDAC1HDAC2
SCHEMBL15747629 0.87 ROCK2 (0.53) SMN1; SMN2MMP13HTTKMT2ACCNC
SCHEMBL15742998 0.86 MAPK1 (0.52) SMN1; SMN2MMP13CCNCCDK8NAMPT
SCHEMBL15741561 0.86 HPGD (0.50) MMP13HTTKMT2AHDAC3HDAC1
SCHEMBL4579300 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MMP13HTTKMT2AHDAC3
SCHEMBL15743038 0.85 CNR1 (0.50) SMN1; SMN2MMP13CCNCCDK8NAMPT
SCHEMBL15743023 0.84 GSK3B (0.54) SMN1; SMN2KMT2ARAB9ANAMPTGSK3B
SCHEMBL15747552 0.83 ALDH1A1 (0.55) SMN1; SMN2MMP13HTTKMT2APOLB
SCHEMBL5266567 0.83 RAB9A (0.52) SMN1; SMN2KMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US claimed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US claimed
CN-104812387-A Substituted 1, 6-naphthyridines HOFFMANN LA ROCHE 2015-07-29 CN claimed
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
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-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
CN-104812387-A Substituted 1, 6-naphthyridines HOFFMANN LA ROCHE 2015-07-29 CN disclosed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO 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-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 SMN1; SMN2 3260/4885MMP13 4857/4885ADRA2C 69/4885

“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.