SCHEMBL250412

SCHEMBL250412

NC(=O)c1ccnc(Nc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.56
PRKD1 Q15139 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
MAPKAPK2 P49137 1/20 0.52
MAPK10 P53779 5/20 0.50
MAPK8 P45983 4/20 0.50
JAK2 O60674 2/20 0.50
TYK2 P29597 2/20 0.50
AURKA O14965 2/20 0.50
MAPK14 Q16539 1/20 0.50
JAK3 P52333 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
JAK1 P23458 1/20 0.49
MAPK9 P45984 1/20 0.48
ACVRL1 P37023 1/20 0.48
AURKB Q96GD4 1/20 0.48
HCAR3 P49019 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
SCHEMBL25311520 0.87 HCAR3 (0.58) MAPK10MAPK8JAK2TYK2AURKA
SCHEMBL14254327 0.86 MAPK8 (0.59) ROCK1PRKD1PRKD2MAPKAPK2MAPK10
SCHEMBL18086904 0.84 JAK2 (0.52) ROCK1MAPK10JAK2TYK2JAK3
SCHEMBL29818054 0.80 MAPK3 (0.48) ROCK1PRKD2MAPK10MAPK8JAK2
SCHEMBL2606609 0.76 NNMT (0.56) ROCK1TYK2AURKAHCAR3
SCHEMBL22458668 0.76 ABL1 (0.70) ROCK1
SCHEMBL10837371 0.75 ROCK1 (0.59) ROCK1MAPK10MAPK8JAK2AURKA
SCHEMBL14607583 0.75 HCAR3 (0.76) JAK2TYK2AURKAJAK3IRAK4
SCHEMBL27603159 0.75 PLAU (0.57)
SCHEMBL4920277 0.75 NPC1 (0.65) MAPK8MAPK14

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 ROCK1 1874/4885PRKD1 3329/4885PRKD2 3199/4885
US-20130102640-A1 METHOD FOR THE PREPARATION OF CIS-1,2-DIOLS IN THE KILOGRAM SCALE ADH1C, DEGS1, MAN1B1 ROCK1 2441/4885PRKD1 1160/4885PRKD2 2297/4885
US-20130184314-A1 Novel Phenylamino Isonicotinamide Compounds MKI67, FGFR1, IGF1R ROCK1 1874/4885PRKD1 3329/4885PRKD2 3199/4885

“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.