SCHEMBL678064

SCHEMBL678064

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.77
HDAC3 O15379 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
LMNA P02545 2/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RHOC P08134 3/20 0.60
RHOA P61586 3/20 0.60
SNCA P37840 1/20 0.59
P2RX1 P51575 2/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TRPV1 Q8NER1 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL678377 0.91 PTGS1 (0.68) PTGS1HDAC3HDAC8HDAC6LMNA
SCHEMBL28217080 0.87 PTGS1 (0.77) PTGS1HDAC3HDAC8HDAC6LMNA
SCHEMBL678654 0.87 PTGS1 (1.00) PTGS1HDAC3HDAC8HDAC6LMNA
SCHEMBL3454009 0.86 PTGS1 (1.00) PTGS1LMNAMEN1POLBKMT2A
SCHEMBL548237 0.84 PTGS1 (0.77) PTGS1HDAC3HDAC8HDAC6LMNA
SCHEMBL16259474 0.84 HDAC6 (0.70) PTGS1HDAC3HDAC8HDAC6LMNA
SCHEMBL22387581 0.83 LMNA (0.67) PTGS1HDAC3HDAC8HDAC6LMNA
SCHEMBL17849583 0.82 MEN1 (0.80) PTGS1LMNAMEN1POLBPKM
SCHEMBL28329635 0.82 P2RX1 (0.64) PTGS1HDAC3HDAC8HDAC6P2RX1
SCHEMBL12841602 0.81 RHOC (0.78) PTGS1HDAC3HDAC8HDAC6RHOC

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 9 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
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
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 PTGS1 2887/4885HDAC3 1739/4885HDAC8 449/4885

“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.