SCHEMBL5062822

SCHEMBL5062822

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cn(C(C)(C)C)nc4-c4cccc(C#N)c4)c3)c(=O)n(C(C)C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.40
RAF1 P04049 6/20 0.40
KRAS P01116 5/20 0.40
KDR P35968 5/20 0.40
MAP2K2 P36507 2/20 0.38
MAP2K1 Q02750 2/20 0.38
CYP1A2 P05177 5/20 0.35
CASP1 P29466 5/20 0.35
CASP7 P55210 5/20 0.35
USP2 O75604 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 4/20 0.35
MEN1 O00255 3/20 0.35
CYP2D6 P10635 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 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
SCHEMBL5052360 0.94 BRAF (0.41) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5055034 0.92 BRAF (0.38) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5052198 0.92 FGFR1 (0.38) BRAFRAF1KDRCYP1A2CASP1
SCHEMBL5055027 0.92 BRAF (0.46) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5056308 0.91 BRAF (0.42) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5062463 0.91 BRAF (0.43) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5052186 0.90 BRAF (0.40) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5059947 0.88 BRAF (0.41) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5054887 0.88 FGFR1 (0.38) BRAFRAF1KDRFGFR1ADORA2A
SCHEMBL4553311 0.86 BRAF (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 BRAF 2/4885RAF1 55/4885KRAS 111/4885

“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.