SCHEMBL2887102

SCHEMBL2887102

NC(=O)c1ncccc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.43
EIF4E P06730 1/20 0.41
PDPK1 O15530 1/20 0.41
CYP2A6 P11509 1/20 0.40
CASP6 P55212 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
LRRK2 Q5S007 1/20 0.39
METAP1 P53582 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
LIMK1 P53667 1/20 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
SCHEMBL30417625 0.85 KDM4E (0.49) PDPK1CYP2A6CASP6METAP1
SCHEMBL29228617 0.85 KDM4E (0.49) PDPK1CYP2A6CASP6METAP1
SCHEMBL4560363 0.80 MKNK1 (0.50) EIF4EMKNK1MKNK2IKBKBCHUK
SCHEMBL30417023 0.80 L3MBTL1 (0.50) CASP6METAP1
SCHEMBL29228625 0.80 L3MBTL1 (0.50) CASP6METAP1
SCHEMBL30416661 0.80 SLC6A9 (0.39) PDPK1CYP2A6CASP6METAP1
SCHEMBL30517722 0.79 CSNK1A1 (0.50) CHEK2PDPK1ADORA2AADORA1
SCHEMBL995828 0.79 CSNK1A1 (0.50) CHEK2PDPK1ADORA2AADORA1
Hydrochloric Acid SCHEMBL30810223 0.77 CSNK1A1 (0.49) CHEK2PDPK1ADORA2AADORA1
SCHEMBL30892434 0.77 CYP2A6 (0.42) EIF4ECYP2A6MKNK1MKNK2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
CN-100378094-C Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2008-04-02 CN disclosed
CN-1747951-A Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2006-03-15 CN 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-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CHEK2 3062/4885EIF4E 1037/4885PDPK1 369/4885

“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.