SCHEMBL5066950

SCHEMBL5066950

CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cnc(C(C)(C)C)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2cnc(NC)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.46
RAF1 P04049 6/20 0.46
KRAS P01116 5/20 0.46
KDR P35968 5/20 0.46
MAP2K2 P36507 3/20 0.46
MAP2K1 Q02750 3/20 0.46
FGFR1 P11362 5/20 0.36
ALK Q9UM73 1/20 0.36
PAK4 O96013 2/20 0.36
PAK1 Q13153 2/20 0.36
PKN1 Q16512 2/20 0.36
PAK3 O75914 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
PAK2 Q13177 1/20 0.36
GAK O14976 1/20 0.36
ABL1 P00519 1/20 0.36
EPHA1 P21709 1/20 0.36
EPHA2 P29317 1/20 0.36
EPHA3 P29320 1/20 0.36

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
Hydrochloric Acid SCHEMBL5057573 0.88 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4420200 0.83 BRAF (0.49) BRAFRAF1KRASKDRMAP2K2
Hydrochloric Acid SCHEMBL4419083 0.82 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5055210 0.80 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
Hydrochloric Acid SCHEMBL5065369 0.80 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4424987 0.76 BRAF (0.56) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5062718 0.76 BRAF (0.58) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4270638 0.76 KDR (0.53) BRAFRAF1KRASKDRMAP2K2
SCHEMBL1891123 0.76 ALK (0.39) ALKABL1
SCHEMBL5061863 0.74 BRAF (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 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 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.