SCHEMBL678096

SCHEMBL678096

Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.64
GPR27 Q9NS67 1/20 0.61
TRPV4 Q9HBA0 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
NTRK1 P04629 1/20 0.52
AURKA O14965 1/20 0.51
TLR8 Q9NR97 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RX1 P51575 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5160686 0.89 PTGS1 (0.64) PTGS1GPR27TLR8MEN1LMNA
SCHEMBL4823169 0.86 SMN1; SMN2 (0.62) PTGS1GPR27TRPV4TRPV1NTRK1
SCHEMBL12334376 0.84 RORC (0.65) PTGS1GPR27TRPV4TRPV1NTRK1
SCHEMBL8111907 0.83 JAK2 (0.69) GPR27TRPV4TRPV1NTRK1AURKA
SCHEMBL12334628 0.82 GPR27 (0.58) PTGS1GPR27TRPV4TRPV1NTRK1
SCHEMBL677811 0.82 SNCA (0.67) GPR27MEN1LMNAPOLBPKM
SCHEMBL15917677 0.81 NPC1 (0.58) GPR27TRPV4TRPV1TLR8PTGDR2
SCHEMBL14113141 0.81 PTGS1 (0.73) PTGS1TRPV4TRPV1P2RX1P2RX4
SCHEMBL3853307 0.80 SMN1; SMN2 (0.70) PTGS1GPR27TRPV1TLR8LMNA
SCHEMBL28747395 0.79 LMNA (0.61) GPR27MEN1LMNAKMT2ATDP1

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
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
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
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 PTGS1 2887/4885GPR27 2782/4885TRPV4 4010/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 PTGS1 3076/4885GPR27 2013/4885TRPV4 2703/4885

“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.