SCHEMBL2663097

SCHEMBL2663097

CC(C)(C)c1cc(NC(=O)c2cccc(Oc3ccnc(Cl)c3)n2)on1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
MAPK14 Q16539 5/20 0.45
MAPK13 O15264 1/20 0.45
BRAF P15056 3/20 0.43
ALDH1A1 P00352 1/20 0.41
GRM5 P41594 2/20 0.39
FLT3 P36888 1/20 0.39
KDR P35968 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8633384 0.76 MAPT (0.59) ALDH1A1GRM5MAPTL3MBTL1
SCHEMBL9017227 0.74 MAPT (0.52) GRM5KDRMAPT
SCHEMBL8629482 0.74 PTGER1 (0.49) GRM5MAPTL3MBTL1
SCHEMBL9713058 0.71 MAPK14 (0.66) RAF1MAPK14ALDH1A1MAPTL3MBTL1
SCHEMBL8721109 0.69 F2 (0.44) GRM5L3MBTL1
SCHEMBL5426692 0.69 KDR (0.51) RAF1MAPK14MAPK13BRAFALDH1A1
SCHEMBL9017144 0.69 GRM5 (0.38) GRM5MAPTL3MBTL1HRH3
SCHEMBL5422292 0.69 RAF1 (0.50) RAF1MAPK14MAPK13BRAFALDH1A1
SCHEMBL5575779 0.69 BRAF (0.57) RAF1MAPK14MAPK13BRAFALDH1A1
SCHEMBL9712723 0.67 ALDH1A1 (0.57) RAF1MAPK14MAPK13BRAFALDH1A1

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-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 RAF1 747/4885MAPK14 533/4885MAPK13 456/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 RAF1 719/4885MAPK14 529/4885MAPK13 464/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 RAF1 747/4885MAPK14 533/4885MAPK13 456/4885

“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.