SCHEMBL18292652

SCHEMBL18292652

c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.61
MAPK13 O15264 7/20 0.61
MAPK12 P53778 7/20 0.61
MAPK11 Q15759 7/20 0.61
RAF1 P04049 5/20 0.61
MAPK9 P45984 4/20 0.61
TGFBR1 P36897 6/20 0.59
NPY5R Q15761 1/20 0.53
AURKA O14965 1/20 0.51
ACVR1B P36896 1/20 0.51
HPGDS O60760 2/20 0.50
BRAF P15056 1/20 0.48
GCGR P47871 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
CSNK1G2 P78368 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
SCHEMBL22229877 0.88 TGFBR1 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4869167 0.85 NPY5R (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6223466 0.82 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL28403314 0.80 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7991915 0.78 TGFBR1 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL28825919 0.78 TGFBR1 (0.82) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4552561 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4551941 0.76 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL19868997 0.76 TGFBR1 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4079452 0.76 TGFBR1 (0.71) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 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 (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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D MAPK14 636/4885MAPK13 715/4885MAPK12 797/4885

“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.