SCHEMBL529779

SCHEMBL529779

O=C(Nc1ccc(Cl)cc1)c1cnc2ccccc2c1Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.56
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CSF1R P07333 1/20 0.48
NR3C1 P04150 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM1A O60341 1/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RAD52 P43351 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DNMT1 P26358 1/20 0.47
DNMT3L Q9UJW3 1/20 0.47

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
SCHEMBL528668 0.94 KMT2A (0.58) NUDT1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL15197252 0.94 CYP3A4 (0.55) NUDT1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7307143 0.85 NUDT1 (0.49) NUDT1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7314351 0.85 NR3C1 (0.60) LMNACYP1A2CYP2C9CYP2C19NR3C1
SCHEMBL7311449 0.84 CYP1A2 (0.55) LMNACYP1A2CYP2C9CYP2C19NR3C1
SCHEMBL17450237 0.82 MEN1 (0.49) NUDT1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL529790 0.80 MELK (0.51) LMNACYP1A2CYP2C9CYP2C19
SCHEMBL529789 0.80 MELK (0.51) LMNACYP1A2CYP2C9CYP2C19
Acetic Acid SCHEMBL11081190 0.80 CYP1A2 (0.54) LMNACYP1A2CYP2C9CYP2C19NR3C1
SCHEMBL530058 0.79 KMT2A (0.50) NUDT1LMNACYP1A2CYP2C9CYP2C19

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 7 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-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 NUDT1 1484/4885LMNA 2106/4885CYP1A2 2581/4885

“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.