SCHEMBL1522016

SCHEMBL1522016

CNc1cc2c(cn1)CN(c1ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c1)C(=O)N2C1CCC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
BRAF P15056 3/20 0.50
KRAS P01116 2/20 0.50
RAF1 P04049 2/20 0.50
MAP2K2 P36507 2/20 0.50
MAP2K1 Q02750 2/20 0.50
MAPK14 Q16539 3/20 0.41
CNR2 P34972 8/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 3/20 0.37
EGFR P00533 2/20 0.37
FYN P06241 2/20 0.37
PDGFRB P09619 2/20 0.37
FGFR1 P11362 2/20 0.37
PDGFRA P16234 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37

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
SCHEMBL1522021 0.93 BRAF (0.53) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1521837 0.90 BRAF (0.61) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1521767 0.87 BRAF (0.53) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1521899 0.86 BRAF (0.52) KDRBRAFKRASRAF1MAP2K2
SCHEMBL4273927 0.85 BRAF (0.52) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1521716 0.85 BRAF (0.52) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1522009 0.85 BRAF (0.56) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1521556 0.84 BRAF (0.52) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1521995 0.82 BRAF (0.49) KDRBRAFKRASRAF1MAP2K2
SCHEMBL1522038 0.80 BRAF (0.48) KDRBRAFKRASRAF1MAP2K2

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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US claimed
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 KDR 500/4885BRAF 1/4885KRAS 30/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 KDR 500/4885BRAF 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.