SCHEMBL4553311

SCHEMBL4553311

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cccc(C#N)c4)c3)c(=O)n(C(C)C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.41
KDR P35968 4/20 0.41
RAF1 P04049 4/20 0.41
KRAS P01116 3/20 0.41
MAP2K2 P36507 2/20 0.40
MAP2K1 Q02750 2/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
LCK P06239 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.39
KIT P10721 2/20 0.38
PDGFRA P16234 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FGFR1 P11362 5/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 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
SCHEMBL5067015 0.89 BRAF (0.46) BRAFKDRRAF1KRASMAP2K2
SCHEMBL5055034 0.88 BRAF (0.38) BRAFKDRRAF1KRASMAP2K2
SCHEMBL5065340 0.87 KDR (0.53) BRAFKDRRAF1KRASMAP2K2
SCHEMBL5052263 0.86 KCNJ6 (0.39) BRAFKDRRAF1KRASMAP2K2
SCHEMBL4279385 0.86 BRAF (0.43) BRAFKDRRAF1KRASMAP2K2
SCHEMBL4276391 0.86 BRAF (0.46) BRAFKDRRAF1KRASMAP2K2
SCHEMBL5062822 0.86 BRAF (0.40) BRAFKDRRAF1KRASMAP2K2
SCHEMBL5054582 0.85 BRAF (0.40) BRAFKDRRAF1KRASMAP2K2
SCHEMBL5060424 0.85 MAPK14 (0.44) BRAFKDRRAF1KRASMAP2K2
SCHEMBL4430448 0.84 BRAF (0.44) BRAFKDRRAF1KRASMAP2K2

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 1/4885KDR 500/4885RAF1 3/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 BRAF 1/4885KDR 500/4885RAF1 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.