SCHEMBL5063013

SCHEMBL5063013

CSc1ncc2cc(-c3cc(NC(=O)Nc4cnn(C(C)(C)C)c4)ccc3C)c(=O)n(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
RAF1 P04049 4/20 0.38
BRAF P15056 4/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPK14 Q16539 8/20 0.37
SRC P12931 8/20 0.37
ABL1 P00519 7/20 0.37
PDGFRB P09619 7/20 0.37
PDGFRA P16234 7/20 0.37
FGFR1 P11362 5/20 0.36
DDR2 Q16832 2/20 0.36
KRAS P01116 1/20 0.36
WEE1 P30291 4/20 0.36
EGFR P00533 2/20 0.35
KDR P35968 2/20 0.35

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
SCHEMBL5057699 0.87 RAF1 (0.51) SYKRAF1BRAFMAPK14SRC
SCHEMBL4420381 0.87 BRAF (0.54) SYKRAF1BRAFPSEN1PSEN2
SCHEMBL5061920 0.84 BRAF (0.46) SYKRAF1BRAFPSEN1PSEN2
SCHEMBL4420333 0.83 MAPK14 (0.46) SYKRAF1BRAFMAPK14CSF1R
SCHEMBL5057392 0.82 BRAF (0.40) RAF1BRAFPSEN1PSEN2APH1B
SCHEMBL4427764 0.82 RAF1 (0.45) SYKRAF1BRAFPSEN1PSEN2
SCHEMBL4552696 0.82 FLT3 (0.46) SYKMAPK14PDGFRBPDGFRACSF1R
SCHEMBL4024447 0.81 SYK (0.56) SYKRAF1BRAFPSEN1PSEN2
SCHEMBL5066955 0.81 MAPK14 (0.46) SYKRAF1BRAFMAPK14KRAS
Hydrogen Sulfide SCHEMBL4279430 0.81 MAPK14 (0.46) SYKRAF1BRAFMAPK14KRAS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SYK 898/4885RAF1 3/4885BRAF 1/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 SYK 898/4885RAF1 3/4885BRAF 1/4885

“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.