SCHEMBL5057488

SCHEMBL5057488

CSc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(-c5ccccc5)ncn4)c3)c(=O)n(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
BRAF P15056 4/20 0.39
RAF1 P04049 3/20 0.39
KRAS P01116 2/20 0.39
KDR P35968 2/20 0.39
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
WEE1 P30291 4/20 0.38
RXFP1 Q9HBX9 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
ABL1 P00519 2/20 0.36
FGFR4 P22455 1/20 0.36
BCR P11274 1/20 0.35
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL4285464 0.88 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5065413 0.87 NTRK1 (0.45) NTRK1BRAFRAF1KRASKDR
SCHEMBL5065474 0.85 WEE1 (0.45) NTRK1KDRMAPTRAB9AWEE1
SCHEMBL5057551 0.84 WEE1 (0.41) NTRK1BRAFRAF1KRASKDR
SCHEMBL5057565 0.82 BRAF (0.40) NTRK1BRAFRAF1KRASKDR
SCHEMBL4419493 0.81 BRAF (0.40) NTRK1BRAFRAF1KRASKDR
SCHEMBL5062544 0.81 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4565838 0.79 SYK (0.46) KDRMAPTWEE1ABL1SRC
SCHEMBL4552420 0.79 BRAF (0.41) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5061836 0.78 BRAF (0.44) NTRK1BRAFRAF1KRASKDR

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 NTRK1 131/4885BRAF 1/4885RAF1 3/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 NTRK1 131/4885BRAF 1/4885RAF1 3/4885

“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.