SCHEMBL678659

SCHEMBL678659

Nc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
TYK2 P29597 7/20 0.65
JAK1 P23458 4/20 0.65
JAK2 O60674 4/20 0.65
CYP3A4 P08684 2/20 0.65
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
TAS1R2 Q8TE23 1/20 0.64
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.54
GFER P55789 1/20 0.54
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.50

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
SCHEMBL4154853 0.83 TYK2 (0.71) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL15091418 0.83 KMT2A (0.62) KMT2ATYK2JAK1JAK2TAS1R3
SCHEMBL6909115 0.83 ITGB1 (0.56) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL7384072 0.82 TYK2 (0.65) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL95630 0.82 TYK2 (0.65) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL14532180 0.82 TYK2 (0.65) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL6819083 0.81 SMO (0.71) KMT2ATYK2JAK1JAK2MEN1
SCHEMBL6601710 0.79 TYK2 (0.61) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL14991989 0.79 JAK1 (0.75) KMT2ATYK2JAK1JAK2CYP3A4
SCHEMBL6602761 0.79 TYK2 (0.61) KMT2ATYK2JAK1JAK2CYP3A4

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 12 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-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
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
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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 (2 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 KMT2A 1060/4885TYK2 47/4885JAK1 297/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 KMT2A 2055/4885TYK2 381/4885JAK1 239/4885

“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.