SCHEMBL5060873

SCHEMBL5060873

Cc1cc(F)c(NC(=O)Nc2ccn(C(C)(C)C)n2)cc1Oc1nccc(-c2cn[nH]c2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDR P35968 7/20 0.34
BRAF P15056 7/20 0.34
PDE10A Q9Y233 1/20 0.33
RIPK1 Q13546 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
RAF1 P04049 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL3660164 0.88 CSF1R (0.42) KDR
SCHEMBL5068791 0.88 KDR (0.41) RXRAGRIN1GRIN2BROCK2KDR
SCHEMBL5067406 0.86 RXRA (0.37) RXRAGRIN1GRIN2BROCK2ROCK1
SCHEMBL3797031 0.86 RXRA (0.36) RXRAGRIN1GRIN2BROCK2ROCK1
SCHEMBL3807000 0.83 BRAF (0.51) BRAFMAPK13MAPK14
SCHEMBL3666718 0.81 MAPK14 (0.49) ROCK2ROCK1KDRBRAFRAF1
SCHEMBL5064093 0.80 MAPK14 (0.38) RXRAGRIN1GRIN2BROCK2ROCK1
SCHEMBL3661974 0.79 KDR (0.41) RXRAGRIN1GRIN2BROCK2ROCK1
SCHEMBL5063126 0.76 BRAF (0.46) BRAFMAPK14
SCHEMBL3662665 0.76 CSF1R (0.42) KDR

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-20080269254-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 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-20080269254-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, BRAF, RET RXRA 3067/4885GRIN1 3171/4885GRIN2B 2987/4885

“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.