SCHEMBL15747629

SCHEMBL15747629

O=C(NCc1ccccc1)c1ccc2cncc(-c3ccncc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
RPS6KA5 O75582 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCD Q05655 1/20 0.53
PRKG2 Q13237 1/20 0.53
DYRK1A Q13627 1/20 0.53
PRKG1 Q13976 1/20 0.53
PKN2 Q16513 1/20 0.53
CDC42BPA Q5VT25 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SGK2 Q9HBY8 1/20 0.53

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
SCHEMBL15747561 0.94 SMN1; SMN2 (0.54) ROCK2ROCK1RPS6KA5MAP4K4PRKCG
SCHEMBL15741561 0.94 HPGD (0.50) HPGDMMP13ALDH1A1CNR1HTT
SCHEMBL17061098 0.90 KMT2A (0.53) MAPK1SMN1; SMN2HPGDMMP13ALDH1A1
SCHEMBL15742967 0.89 CNR1 (0.61) HPGDALDH1A1CNR1CCNCCDK8
SCHEMBL15747682 0.87 SMN1; SMN2 (0.50) GSK3BSMN1; SMN2MMP13HTTKMT2A
SCHEMBL15741796 0.87 HPGD (0.44) ROCK2ROCK1RPS6KA5MAP4K4PRKCG
SCHEMBL15743038 0.86 CNR1 (0.50) SMN1; SMN2HPGDMMP13CNR1CCNC
SCHEMBL4581111 0.86 CNR1 (0.55) MAP4K4RPS6KB1MAPK1PRKXDYRK1A
SCHEMBL15747584 0.86 RAB9A (0.51) GSK3BSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4579300 0.84 SMN1; SMN2 (0.47) ROCK2ROCK1RPS6KA5MAP4K4PRKCG

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 ROCK2 2918/4885ROCK1 4418/4885RPS6KA5 2832/4885

“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.