SCHEMBL529398

SCHEMBL529398

CN(C)CCc1cc(N)cnc1N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
HTR6 P50406 2/20 0.34
HTR2A P28223 1/20 0.34
NOS1 P29475 4/20 0.34
NOS3 P29474 3/20 0.33
NOS2 P35228 2/20 0.33
CHRNA7 P36544 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL3384311 0.80 ALDH1A1 (0.32) TAAR1HTR6HTR2ANOS1NOS3
SCHEMBL23245930 0.79 DHFR (0.38) NOS1NOS3NOS2
SCHEMBL3184549 0.76 HRH1 (0.36) TAAR1NOS1NOS3NOS2
SCHEMBL30173079 0.75 HTR1D (0.42)
SCHEMBL94544 0.75 TKT (0.38) NOS1NOS3NOS2
SCHEMBL2794197 0.74 LMNA (0.36) NOS1NOS3NOS2
SCHEMBL2422235 0.74 NOS3 (0.45) NOS1NOS3NOS2
SCHEMBL1254212 0.73 HTT (0.43) NOS1NOS3NOS2HRH3
SCHEMBL3937827 0.72 TLR8 (0.40) HRH3
SCHEMBL2794203 0.71 TLR7 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753329-B1 1,5-NAPHTHYRIDINE DERIVATIVES AS MELK INHIBITORS ONCOTHERAPY SCIENCE INC (JP) 2017-08-09 EP disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
CN-103153063-B Quinoline derivatives and melk inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-01-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 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 (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-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 TAAR1 3461/4885HTR6 2590/4885HTR2A 3612/4885
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 TAAR1 3461/4885HTR6 2590/4885HTR2A 3612/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 TAAR1 2800/4885HTR6 1583/4885HTR2A 1769/4885

“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.