SCHEMBL529250

SCHEMBL529250

CN(C(=O)O)C1CCCN(c2ccc(N)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.48
MAP4K4 O95819 1/20 0.43
JAK3 P52333 5/20 0.41
LCK P06239 3/20 0.41
RET P07949 3/20 0.41
MCHR1 Q99705 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM4 P08173 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL528447 0.93 MAP4K4 (0.50) BTKMAP4K4MCHR1KDM4ECHRM4
SCHEMBL1750255 0.93 MAP4K4 (0.50) BTKMAP4K4MCHR1KDM4ECHRM4
SCHEMBL16336308 0.85 RAB9A (0.41) BTKMAP4K4RETMCHR1KDM4E
SCHEMBL530954 0.85 RAB9A (0.41) BTKMAP4K4RETMCHR1KDM4E
SCHEMBL15197532 0.85 RET (0.53) BTKMAP4K4JAK3LCKRET
SCHEMBL595852 0.83 MAP4K4 (0.61) MAP4K4MCHR1KDM4ECHRM4
SCHEMBL2789586 0.83 MAP4K4 (0.61) MAP4K4MCHR1KDM4ECHRM4
SCHEMBL529399 0.82 MAPT (0.56) BTKJAK3LCKMCHR1KDM4E
SCHEMBL529400 0.82 MAPT (0.56) BTKJAK3LCKMCHR1KDM4E
SCHEMBL3665883 0.80 AAK1 (0.53) MAP4K4JAK3MCHR1CHRM4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US 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 (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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 BTK 1576/4885MAP4K4 99/4885JAK3 2226/4885

“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.