SCHEMBL553429

SCHEMBL553429

Cc1cc(NC(=O)O)nc(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.41
MAPK9 P45984 6/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
MAPK10 P53779 2/20 0.41
MAP4K2 Q12851 2/20 0.41
CHUK O15111 1/20 0.41
CDK2 P24941 1/20 0.41
CLK2 P49760 1/20 0.41
ITK Q08881 1/20 0.41
PASK Q96RG2 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 3/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL7897544 0.84 L3MBTL1 (0.50) MAPK8MAPK9PRKD3MAP4K4MAPK10
SCHEMBL2592865 0.81 MAPK8 (0.59) MAPK8MAPK9PRKD3MAP4K4MAPK10
SCHEMBL554149 0.81 LCK (0.41) MAPK8MAPK9PRKD3MAP4K4MAPK10
SCHEMBL18055562 0.79 KDM4E (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL22890548 0.76 KDM4E (0.41) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL12842064 0.75 KDM4E (0.43) MAPK8SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL18053165 0.75 KDM4E (0.43) MAPK8MAPK9ALDH1A1KDM4EPOLB
SCHEMBL24991568 0.73 MEN1 (0.40) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL29177259 0.73 GPR35 (0.43) NPC1RAB9ASMN1; SMN2RXFP1ALDH1A1
SCHEMBL16965585 0.72 L3MBTL1 (0.38) MAPK8MAPK9PRKD3MAP4K4MAPK10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 EP disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 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 (1 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT MAPK8 1590/4885MAPK9 2853/4885PRKD3 2480/4885

“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.