SCHEMBL5057685

SCHEMBL5057685

CNc1cc2c(cn1)cc(-c1cc(NC(=O)N[C@H]3CC[C@H](C)CC3)c(F)cc1C)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.54
RAF1 P04049 9/20 0.54
KDR P35968 8/20 0.54
KRAS P01116 6/20 0.54
MAP2K2 P36507 5/20 0.54
MAP2K1 Q02750 5/20 0.54
KIT P10721 3/20 0.46
PDGFRA P16234 2/20 0.46
ARAF P10398 2/20 0.44
SRC P12931 2/20 0.42
FGFR1 P11362 1/20 0.42
MAPK14 Q16539 10/20 0.40
MAPKAPK2 P49137 2/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
KCNH2 Q12809 1/20 0.40
LCK P06239 2/20 0.39
ABL1 P00519 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL5057690 1.00 BRAF (0.54) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4566533 0.97 RAF1 (0.57) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4276920 0.93 BRAF (0.55) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4427874 0.87 BRAF (0.53) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5061746 0.87 BRAF (0.53) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4272218 0.86 KIT (0.47) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5066925 0.85 BRAF (0.67) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5066922 0.85 BRAF (0.67) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4278979 0.84 FGFR1 (0.48) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4431626 0.83 BRAF (0.59) BRAFRAF1KDRKRASMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US claimed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US claimed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US claimed
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 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 (2 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 BRAF 1/4885RAF1 3/4885KDR 500/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 BRAF 1/4885RAF1 3/4885KDR 500/4885

“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.