SCHEMBL677476

SCHEMBL677476

Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 2/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
APEX1 P27695 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SNCA P37840 2/20 0.65
PTGS1 P23219 3/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.52
PTPN1 P18031 1/20 0.51
PRMT1 Q99873 1/20 0.50
MITF O75030 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
SCHEMBL17849583 0.87 MEN1 (0.80) MEN1KMT2APOLBLMNAPKM
SCHEMBL678377 0.86 PTGS1 (0.68) MEN1KMT2APOLBLMNAPKM
SCHEMBL678688 0.85 KMT2A (0.70) MEN1KMT2APOLBLMNAPKM
SCHEMBL23326698 0.84 NQO2 (0.70) MEN1KMT2APOLBTDP1SNCA
SCHEMBL684117 0.84 MEN1 (0.81) MEN1KMT2APOLBLMNAPKM
SCHEMBL16741759 0.84 MEN1 (0.81) MEN1KMT2APOLBLMNAPKM
SCHEMBL9318389 0.83 POLB (0.74) MEN1KMT2APOLBLMNAPKM
SCHEMBL10952359 0.83 MEN1 (0.74) MEN1KMT2APOLBLMNAPKM
SCHEMBL6813828 0.81 MEN1 (0.57) MEN1KMT2APOLBTDP1RAB9A
SCHEMBL1353478 0.81 POLB (1.00) MEN1KMT2APOLBLMNAPKM

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 14 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
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-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 MEN1 1490/4885KMT2A 1060/4885POLB 435/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 MEN1 3455/4885KMT2A 2055/4885POLB 2583/4885

“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.