SCHEMBL679036

SCHEMBL679036

Nc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.52
AURKA O14965 4/20 0.51
CHEK2 O96017 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
FLT4 P35916 1/20 0.51
ABL2 P42684 1/20 0.51
BLK P51451 1/20 0.51
LIMK1 P53667 1/20 0.51
AURKB Q96GD4 1/20 0.51
SNCA P37840 1/20 0.47
P2RX1 P51575 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL28339137 0.90 PTGS1 (0.59) PTGS1SNCAP2RX1AVPR2GPR27
SCHEMBL29771708 0.90 PTGS1 (0.59) PTGS1SNCAP2RX1AVPR2GPR27
SCHEMBL23730425 0.88 PTGS1 (0.61) PTGS1SNCAP2RX1TMPRSS4AVPR2
SCHEMBL1160927 0.85 HDAC1 (0.52) PTGS1AURKACHEK2CSF1RRET
SCHEMBL31261403 0.83 PTGS1 (0.56) PTGS1P2RX1TMPRSS4LMNAMEN1
SCHEMBL18147380 0.83 PTGS1 (0.56) PTGS1P2RX1TMPRSS4LMNAMEN1
SCHEMBL12334377 0.82 RORC (0.58) AURKACHEK2CSF1RRETFLT4
SCHEMBL1160893 0.82 AURKA (0.48) PTGS1AURKAHDAC1
SCHEMBL677811 0.82 SNCA (0.67) SNCAAVPR2GPR27LMNAMEN1
SCHEMBL28819092 0.81 GPR27 (0.54) AURKACHEK2CSF1RRETFLT4

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 29 patents — showing the first 20. 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-9938268-B2 C-ring modified tricyclic benzonaphthiridinone protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
EP-2367821-B1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2015-09-16 EP disclosed
CN-102573994-B Novel bicyclic urea compounds MERCK PATENT GMBH 2015-06-24 CN disclosed
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
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO 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-2010077530-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-07-08 WO 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 PTGS1 2887/4885AURKA 1/4885CHEK2 129/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 PTGS1 3076/4885AURKA 538/4885CHEK2 199/4885

“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.