SCHEMBL5066985

SCHEMBL5066985

CNc1ncc2cc(-c3cc(NC(=O)Nc4cnn(C(C)(C)C)c4)c(F)cc3C)c(=O)n(C(C)C)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.56
RAF1 P04049 9/20 0.56
KDR P35968 8/20 0.46
KRAS P01116 7/20 0.46
ARAF P10398 2/20 0.46
ABL1 P00519 2/20 0.46
EPHA2 P29317 2/20 0.46
MAPK8 P45983 2/20 0.46
EPHB4 P54760 2/20 0.46
MAPK13 O15264 1/20 0.46
FYN P06241 1/20 0.46
SRC P12931 1/20 0.46
CSK P41240 1/20 0.46
MAPK9 P45984 1/20 0.46
IRAK1 P51617 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK10 P53779 1/20 0.46
MAP2K5 Q13163 1/20 0.46
MAP3K1 Q13233 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL5066945 0.90 BRAF (0.69) BRAFRAF1KDRKRASARAF
SCHEMBL5062769 0.88 RAF1 (0.58) BRAFRAF1KDRKRASARAF
SCHEMBL4429145 0.88 KDR (0.45) BRAFRAF1KDRKRASARAF
SCHEMBL4563431 0.85 BRAF (0.58) BRAFRAF1KDRKRASARAF
SCHEMBL4563335 0.83 BRAF (0.60) BRAFRAF1KDRKRASARAF
SCHEMBL4571003 0.83 BRAF (0.58) BRAFRAF1KDRKRASARAF
SCHEMBL4424556 0.83 BRAF (0.58) BRAFRAF1KDRKRASARAF
SCHEMBL4571002 0.83 BRAF (0.58) BRAFRAF1KDRKRASARAF
SCHEMBL5065436 0.82 BRAF (0.57) BRAFRAF1KDRKRASARAF
SCHEMBL5061721 0.82 BRAF (0.58) BRAFRAF1ABL1SRCMAPK14

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 3/4885KDR 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.