SCHEMBL678654

SCHEMBL678654

Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 1.00
POLB P06746 2/20 0.76
MEN1 O00255 1/20 0.76
LMNA P02545 1/20 0.76
PKM P14618 1/20 0.76
APEX1 P27695 1/20 0.76
KMT2A Q03164 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
TRPV1 Q8NER1 3/20 0.71
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
RORC P51449 1/20 0.69
MAPT P10636 1/20 0.62
HDAC3 O15379 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59

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
SCHEMBL7513604 0.91 TRPV1 (0.83) PTGS1MEN1LMNAKMT2ATRPV1
SCHEMBL30319980 0.87 POLB (1.00) PTGS1POLBMEN1LMNAPKM
SCHEMBL137276 0.87 POLB (1.00) PTGS1POLBMEN1LMNAPKM
SCHEMBL2128727 0.87 POLB (1.00) PTGS1POLBMEN1LMNAPKM
SCHEMBL1353478 0.87 POLB (1.00) PTGS1POLBMEN1LMNAPKM
SCHEMBL9681496 0.87 POLB (1.00) PTGS1POLBMEN1LMNAPKM
SCHEMBL28217080 0.87 PTGS1 (0.77) PTGS1POLBMEN1LMNAPKM
SCHEMBL9114835 0.87 PTGS1 (0.77) PTGS1POLBMEN1LMNAPKM
SCHEMBL678064 0.87 PTGS1 (0.77) PTGS1POLBMEN1LMNAPKM
SCHEMBL548237 0.87 PTGS1 (0.77) PTGS1POLBMEN1LMNAPKM

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 17 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
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN 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
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 US 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 (3 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 2887/4885POLB 435/4885MEN1 1490/4885
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY PTGS1, PTGS2, PTGIS PTGS1 1/4885POLB 4139/4885MEN1 2531/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 PTGS1 3076/4885POLB 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.