SCHEMBL529762

SCHEMBL529762

CCN1CCCC1CNc1c(-c2cccs2)cnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CAMK2D Q13557 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP3K8 P41279 2/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MET P08581 1/20 0.39
VNN1 O95497 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
POLB P06746 2/20 0.37
DRD2 P14416 1/20 0.36
GBA1 P04062 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10282012 0.74 ACHE (0.41) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL529636 0.72 RAB9A (0.48) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL15190813 0.69 RAD52 (0.56) ACHEALDH1A1RAB9APOLBDRD2
SCHEMBL22201647 0.67 HPGD (0.54) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22639730 0.67 ACHE (0.51) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13118498 0.66 ACHE (0.61) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1088557 0.65 MRGPRX1 (0.51) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1088730 0.65 MRGPRX1 (0.50) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1089103 0.65 ACHE (0.48) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1089781 0.65 MRGPRX1 (0.50) ACHEKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 3303/4885CAMK2D 347/4885KDM4E 1041/4885

“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.