SCHEMBL4422906

SCHEMBL4422906

CC(C)n1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)nn3C)c2)cc2cnc(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.45
KRAS P01116 2/20 0.45
RAF1 P04049 2/20 0.45
KDR P35968 2/20 0.45
MAP2K2 P36507 2/20 0.45
MAP2K1 Q02750 2/20 0.45
MAPK14 Q16539 11/20 0.42
MAPK13 O15264 4/20 0.42
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
LMNA P02545 2/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 3/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 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
SCHEMBL5065431 0.91 BRAF (0.46) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4425718 0.90 BRAF (0.48) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4419018 0.88 BRAF (0.54) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5061843 0.86 BRAF (0.48) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5057686 0.86 BRAF (0.61) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4423915 0.84 BRAF (0.60) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5061836 0.81 BRAF (0.44) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5065364 0.81 MAPK14 (0.53) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4563409 0.81 MAPK14 (0.53) BRAFMAP2K2MAP2K1MAPK14MAPK13
SCHEMBL4416685 0.81 BRAF (0.43) BRAFKRASRAF1KDRMAP2K2

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-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
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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 (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 1/4885KRAS 30/4885RAF1 3/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 BRAF 1/4885KRAS 30/4885RAF1 3/4885

“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.