SCHEMBL665128

SCHEMBL665128

COc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 7/20 0.66
HSD17B1 P14061 6/20 0.66
CLK1 P49759 1/20 0.55
MAPK14 Q16539 2/20 0.53
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
VNN1 O95497 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
ITK Q08881 1/20 0.46
MCHR1 Q99705 2/20 0.46
P4HB P07237 1/20 0.45

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
SCHEMBL2894252 0.85 MAPK14 (0.55) HSD17B2HSD17B1MAPK14KDM4E
SCHEMBL4863265 0.84 MAPK14 (0.54) HSD17B2HSD17B1CLK1MAPK14KDM4E
SCHEMBL6800382 0.83 MCHR1 (0.55) HSD17B2HSD17B1KDM4EHPGDVNN1
SCHEMBL6796131 0.83 HSD17B2 (0.91) HSD17B2HSD17B1KDM4EHPGD
SCHEMBL4908079 0.80 MAPK14 (0.51) HSD17B2HSD17B1CLK1MAPK14KDM4E
SCHEMBL529976 0.78 KDM4E (0.71) HSD17B2HSD17B1KDM4EHPGDMCHR1
SCHEMBL2092641 0.77 PGR (0.46) CLK1MAPK14MCHR1P4HB
SCHEMBL17602299 0.77 KDM4C (0.48) CLK1VNN1SIRT2MCHR1P4HB
SCHEMBL12574227 0.77 MAPK14 (0.46) CLK1MAPK14
SCHEMBL8264407 0.77 REN (0.47) MAPK14MCHR1

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-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 WO disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC HSD17B2 3124/4885HSD17B1 3314/4885CLK1 4808/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC HSD17B2 3124/4885HSD17B1 3314/4885CLK1 4808/4885

“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.