SCHEMBL678591

SCHEMBL678591

Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
POLB P06746 2/20 0.68
MEN1 O00255 1/20 0.68
PKM P14618 1/20 0.68
APEX1 P27695 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
KCNQ3 O43525 5/20 0.61
KCNQ2 O43526 5/20 0.61
SNCA P37840 1/20 0.61
PTGS1 P23219 3/20 0.59
KCNE1 P15382 1/20 0.58
KCNQ1 P51787 1/20 0.58
KCNQ5 Q9NR82 1/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL6814178 0.85 KCNQ3 (0.60) LMNAMEN1KMT2AKCNQ3KCNQ2
SCHEMBL23326911 0.85 KCNQ3 (0.63) LMNAKCNQ3KCNQ2SNCAKCNE1
SCHEMBL8361564 0.83 NPC1 (0.68) LMNAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14972591 0.82 MEN1 (0.66) LMNAPOLBMEN1PKMAPEX1
SCHEMBL137276 0.82 POLB (1.00) LMNAPOLBMEN1PKMAPEX1
SCHEMBL2128727 0.82 POLB (1.00) LMNAPOLBMEN1PKMAPEX1
SCHEMBL1353478 0.82 POLB (1.00) LMNAPOLBMEN1PKMAPEX1
SCHEMBL9681496 0.82 POLB (1.00) LMNAPOLBMEN1PKMAPEX1
SCHEMBL30319980 0.82 POLB (1.00) LMNAPOLBMEN1PKMAPEX1
SCHEMBL22695574 0.81 POLB (0.75) LMNAPOLBMEN1PKMAPEX1

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 15 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
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 LMNA 1303/4885POLB 435/4885MEN1 1490/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 LMNA 1180/4885POLB 2583/4885MEN1 3455/4885

“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.