SCHEMBL678106

SCHEMBL678106

O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
AURKA O14965 5/20 0.46
AURKB Q96GD4 3/20 0.46
GPR27 Q9NS67 3/20 0.46
AVPR2 P30518 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 3/20 0.44
ATM Q13315 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL678608 0.85 DNMT1 (0.54) AURKAAURKBKMT2ACHEK2RET
SCHEMBL683837 0.85 DNMT1 (0.54) AURKAAURKBKMT2ACHEK2RET
SCHEMBL682914 0.84 RXFP1 (0.46) AURKAAURKBMAPTGAAATM
SCHEMBL679078 0.82 MEN1 (0.51) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL678865 0.82 AURKA (0.61) JAK2JAK1TYK2AURKAAURKB
SCHEMBL6521641 0.82 AURKA (0.69) AURKAAURKBCHEK2CSF1RRET
SCHEMBL679045 0.81 AURKA (0.69) AURKAAURKBCHEK2CSF1RRET
SCHEMBL683841 0.80 LMNA (0.51) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL678732 0.79 AURKA (0.53) TYK2AURKAAURKBNPC1RAB9A
SCHEMBL678582 0.79 AURKA (0.70) AURKAAURKBMEN1KMT2ANPC1

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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US claimed
JP-2011526912-A 2011-10-20 JP claimed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP claimed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO claimed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB JAK2 679/4885JAK1 297/4885TYK2 47/4885

“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.