SCHEMBL530058

SCHEMBL530058

CN(C)CCCNc1c(C(=O)Nc2ccc(Cl)cc2)cnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
RAD52 P43351 2/20 0.50
NPC1 O15118 1/20 0.50
SLC2A1 P11166 1/20 0.50
APOBEC3A P31941 1/20 0.50
RAB9A P51151 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
NR3C1 P04150 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47
UHRF1 Q96T88 1/20 0.46
TERT O14746 1/20 0.44
NUDT1 P36639 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL17450237 0.89 MEN1 (0.49) KMT2ANPC1NR3C1MEN1PKM
SCHEMBL529779 0.79 NUDT1 (0.56) KMT2APOLBRAD52NR3C1KDM4E
SCHEMBL7314351 0.78 NR3C1 (0.60) NR3C1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7307143 0.78 NUDT1 (0.49) KMT2ANPC1NR3C1MEN1GAA
SCHEMBL15190928 0.78 KMT2A (0.63) KMT2APOLBRAD52NPC1SLC2A1
SCHEMBL530155 0.77 KMT2A (0.78) KMT2APOLBRAD52NPC1SLC2A1
SCHEMBL15197252 0.77 CYP3A4 (0.55) KMT2AMEN1GAANUDT1LMNA
SCHEMBL528668 0.77 KMT2A (0.58) KMT2APOLBRAD52RAB9AMEN1
SCHEMBL7311449 0.74 CYP1A2 (0.55) KMT2ANR3C1MEN1KDM4EGAA
SCHEMBL529636 0.74 RAB9A (0.48) POLBRAB9ANR3C1KDM4EGAA

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 8 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
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 KMT2A 551/4885POLB 2238/4885RAD52 2014/4885

“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.