SCHEMBL250411

SCHEMBL250411

NC(=O)c1ccncc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.59
SIRT2 Q8IXJ6 8/20 0.54
MAPK8 P45983 1/20 0.53
KDM4D Q6B0I6 3/20 0.50
KDM6B O15054 2/20 0.50
SIRT1 Q96EB6 2/20 0.50
AURKA O14965 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KDM4A O75164 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CSF1R P07333 1/20 0.47
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47

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
SCHEMBL479807 0.87 SIRT2 (0.54) KDM4CSIRT2MAPK8SIRT1AURKA
SCHEMBL2021338 0.87 KDM4C (0.70) KDM4CKDM4DKDM6BKDM4EKDM4A
SCHEMBL2025681 0.84 SIRT2 (0.49) KDM4CSIRT2MAPK8KDM4DKDM6B
SCHEMBL15286534 0.83 KDM4C (0.57) KDM4CSIRT2MAPK8KDM4DKDM6B
SCHEMBL29867895 0.81 MAPT (0.67) KDM4CKDM4DAURKAKDM4EPTGS1
SCHEMBL2023347 0.81 MAPT (0.67) KDM4CKDM4DAURKAKDM4EPTGS1
SCHEMBL15286436 0.80 KDM4C (0.54) KDM4CSIRT2MAPK8KDM4DKDM6B
SCHEMBL460199 0.80 SIRT2 (0.62) SIRT2MAPK8SIRT1AURKAJAK2
Anilinobenzamide SCHEMBL1318994 0.79 SIRT2 (0.73) SIRT2MAPK8SIRT1AURKA
SCHEMBL15286451 0.79 KDM4C (0.53) KDM4CSIRT2KDM4DKDM6BAURKA

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
EP-2307376-B1 NOVEL PHENYLAMINO ISONICOTINAMIDE COMPOUNDS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
US-8889719-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2014-11-18 US disclosed
US-8889719-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2014-11-18 US disclosed
CN-102099336-B Phenylaminoisonicotinamide compounds MERCK SERONO SA 2013-11-06 CN disclosed
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
EP-2588452-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE Merck Patent GmbH (DE) 2013-05-08 EP disclosed
US-20130102640-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-8404725-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2013-03-26 US disclosed
US-8404725-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2013-03-26 US disclosed
US-8404725-B2 Phenylamino isonicotinamide compounds MERCK PATENT GMBH (DE) 2013-03-26 US disclosed
WO-2012000598-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed
US-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2011-07-28 US disclosed
US-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MERCK PATENT GMBH (DE) 2011-07-28 US disclosed
CN-102099336-A Novel phenylamino isonicotinamide compounds MERCK SERONO SA 2011-06-15 CN disclosed
EP-2307376-A1 NOVEL PHENYLAMINO ISONICOTINAMIDE COMPOUNDS Merck Patent GmbH (DE) 2011-04-13 EP disclosed
WO-2010017051-A1 NOVEL PHENYLAMINO ISONICOTINAMIDE COMPOUNDS MERCK SERONO S.A. (CH) 2010-02-11 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-20110184032-A1 Novel Phenylamino Isonicotinamide Compounds MKI67, FGFR1, IGF1R KDM4C 3239/4885SIRT2 263/4885MAPK8 551/4885
US-20130102640-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE ADH1C, DEGS1, MAN1B1 KDM4C 3800/4885SIRT2 1872/4885MAPK8 3887/4885
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MKI67, FGFR1, IGF1R KDM4C 3239/4885SIRT2 263/4885MAPK8 551/4885

“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.