SCHEMBL5057397

SCHEMBL5057397

CNc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cc(C(C)(C)C)on3)c(F)cc1Cl)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.48
RAF1 P04049 6/20 0.48
KRAS P01116 3/20 0.48
KDR P35968 3/20 0.48
MAP2K2 P36507 3/20 0.48
MAP2K1 Q02750 3/20 0.48
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CSF1R P07333 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
MAPK14 Q16539 3/20 0.43

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
SCHEMBL5065439 0.93 BRAF (0.49) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4416682 0.91 RAF1 (0.58) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4424647 0.90 BRAF (0.61) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4425085 0.88 BRAF (0.63) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4287266 0.87 BRAF (0.58) BRAFRAF1FGFR1SRCPDGFRA
SCHEMBL22538096 0.86 FGFR1 (0.55) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5061696 0.85 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5065438 0.84 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5057666 0.83 BRAF (0.46) BRAFRAF1KDRFGFR1KIT
SCHEMBL4416124 0.83 RAF1 (0.48) BRAFRAF1KRASKDRMAP2K2

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-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 3/4885KRAS 30/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 BRAF 1/4885RAF1 3/4885KRAS 30/4885

“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.