SCHEMBL16632300

SCHEMBL16632300

COc1ccc(CCNc2cc3nc(C)c(-c4cc(NC(=O)O)ccc4C)cc3cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.53
BRAF P15056 2/20 0.53
KRAS P01116 1/20 0.53
MAPT P10636 2/20 0.45
ARAF P10398 1/20 0.44
PTGDR Q13258 7/20 0.43
MAP2K7 O14733 1/20 0.42
HDAC1 Q13547 1/20 0.41
FGFR1 P11362 3/20 0.41
KDR P35968 3/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16632504 0.85 KDR (0.53) RAF1BRAFKRASARAFPTGDR
SCHEMBL16632379 0.83 KDR (0.46) RAF1BRAFKRASARAFPTGDR
SCHEMBL16632302 0.81 RAF1 (0.45) RAF1BRAFKRASMAPTARAF
SCHEMBL16632422 0.77 KDR (0.44) RAF1BRAFKRASMAPTARAF
SCHEMBL16632291 0.75 HDAC1 (0.42) RAF1BRAFKRASARAFPTGDR
SCHEMBL16632181 0.74 PTGDR (0.46) RAF1BRAFKRASPTGDRHDAC1
SCHEMBL16632226 0.74 RAF1 (0.53) RAF1BRAFKRASMAPTARAF
SCHEMBL15289509 0.73 RAF1 (0.43) RAF1BRAFKRASMAPTARAF
SCHEMBL16632239 0.72 KDR (0.43) RAF1BRAFKRASARAFPTGDR
SCHEMBL15289565 0.72 RAF1 (0.63) RAF1BRAFKRASMAPTARAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187474-B2 Raf inhibitor compounds DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20150105367-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC 2015-04-16 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 (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-20150105367-A1 RAF INHIBITOR COMPOUNDS BRAF, RAF1, NRAS RAF1 2/4885BRAF 1/4885KRAS 4/4885

“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.