SCHEMBL828110

SCHEMBL828110

Cn1nc(C(C)(C)C)cc1NC(=O)N(c1ccc(Oc2ccnc(-c3cnn(CC(N)=O)c3)c2)cc1F)N(C(=O)Nc1ccc(Oc2ccnc(-c3cnn(CCN4CCOCC4)c3)c2)cc1F)c1cc(C(C)(C)C)nn1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.42
MAPK13 O15264 1/20 0.42
ABL1 P00519 1/20 0.41
RET P07949 1/20 0.40
BRAF P15056 3/20 0.38
CSF1R P07333 5/20 0.36
KDR P35968 2/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36
AXL P30530 2/20 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
SCHEMBL828109 0.89 MAPK14 (0.54) MAPK14MAPK13ABL1RETBRAF
SCHEMBL574472 0.84 MAPK14 (0.59) MAPK14MAPK13ABL1RETBRAF
SCHEMBL2264314 0.81 MAPK14 (0.63) MAPK14MAPK13ABL1RETBRAF
SCHEMBL574334 0.75 MAPK14 (0.57) MAPK14MAPK13ABL1RETBRAF
SCHEMBL827920 0.75 MAPK14 (0.65) MAPK14MAPK13ABL1RETBRAF
SCHEMBL574179 0.75 MAPK14 (0.63) MAPK14MAPK13ABL1RETBRAF
SCHEMBL827816 0.74 KDR (0.41) ABL1BRAFCSF1RKDRAXL
SCHEMBL574511 0.74 MAPK14 (0.65) MAPK14MAPK13ABL1RETBRAF
SCHEMBL827939 0.73 AXL (0.42) RETBRAFCSF1RKDRMET
SCHEMBL827859 0.73 RET (0.46) MAPK14MAPK13ABL1RETBRAF

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-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 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-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF MAPK14 264/4885MAPK13 158/4885ABL1 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.