SCHEMBL529636

SCHEMBL529636

CCN1CCCC1CNc1c(C(=O)Nc2ccc(Cl)cc2)cnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAP3K8 P41279 2/20 0.47
NR3C1 P04150 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
MCHR2 Q969V1 1/20 0.45
MCHR1 Q99705 1/20 0.45
THRB P10828 1/20 0.44
DRD2 P14416 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL529635 0.80 NR3C1 (0.46) SMN1; SMN2NR3C1ALDH1A1KDM4ELMNA
SCHEMBL531243 0.79 CHEK1 (0.47) NR3C1
SCHEMBL17450237 0.78 MEN1 (0.49) NR3C1LMNA
SCHEMBL10282012 0.76 ACHE (0.41) RAB9ASMN1; SMN2MAP3K8L3MBTL1ALDH1A1
SCHEMBL529779 0.75 NUDT1 (0.56) SMN1; SMN2NR3C1L3MBTL1KDM4ELMNA
SCHEMBL530058 0.74 KMT2A (0.50) RAB9ANR3C1KDM4ELMNADRD2
SCHEMBL7307143 0.73 NUDT1 (0.49) NR3C1LMNAGAAMAPT
SCHEMBL529790 0.72 MELK (0.51) LMNA
SCHEMBL529789 0.72 MELK (0.51) LMNA
SCHEMBL15197252 0.72 CYP3A4 (0.55) LMNAGAA

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 10 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-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US 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
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 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 (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 RAB9A 1502/4885SMN1; SMN2 4148/4885MAP3K8 190/4885

“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.