SCHEMBL5057580

SCHEMBL5057580

CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(C(C)C)nn3-c3ccccc3)c2)cc2cnc(NC)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.48
BRAF P15056 3/20 0.48
KRAS P01116 2/20 0.48
KDR P35968 2/20 0.48
MAP2K2 P36507 1/20 0.48
MAP2K1 Q02750 1/20 0.48
KCNJ6 P48051 5/20 0.47
KCNJ5 P48544 5/20 0.47
KCNJ3 P48549 5/20 0.47
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
PAK1 Q13153 2/20 0.40
PAK2 Q13177 1/20 0.40
GAK O14976 1/20 0.39
ABL1 P00519 1/20 0.39
EPHA1 P21709 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
SCHEMBL4422580 0.91 KCNJ6 (0.48) RAF1BRAFKRASKDRMAP2K2
SCHEMBL4433363 0.91 KCNJ6 (0.49) RAF1BRAFKRASKDRMAP2K2
SCHEMBL5062365 0.90 KCNJ6 (0.49) RAF1BRAFKRASKDRMAP2K2
SCHEMBL5057714 0.90 BRAF (0.50) RAF1BRAFKRASKDRMAP2K2
SCHEMBL5065427 0.90 BRAF (0.49) RAF1BRAFKRASKDRMAP2K2
SCHEMBL4566582 0.90 RAF1 (0.51) RAF1BRAFKRASKDRMAP2K2
SCHEMBL5056335 0.88 KCNJ6 (0.45) RAF1BRAFKRASKDRMAP2K2
SCHEMBL5054520 0.86 KCNJ6 (0.45) RAF1BRAFKRASKDRMAP2K2
SCHEMBL4562960 0.85 BRAF (0.44) RAF1BRAFKRASKDRMAP2K2
SCHEMBL5061317 0.85 KCNJ6 (0.44) RAF1BRAFKRASKDRMAP2K2

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