SCHEMBL574586

SCHEMBL574586

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(CC#N)c3)c2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.62
MAPK13 O15264 4/20 0.62
ABL1 P00519 2/20 0.60
BRAF P15056 7/20 0.54
RAF1 P04049 2/20 0.46
RIPK1 Q13546 2/20 0.45
PLK4 O00444 1/20 0.45
ACOX3 O15254 1/20 0.45
MAP3K7 O43318 1/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
ERN1 O75460 1/20 0.45
RPS6KA4 O75676 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45

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
SCHEMBL574511 0.91 MAPK14 (0.65) MAPK14MAPK13ABL1BRAFRAF1
SCHEMBL827920 0.91 MAPK14 (0.65) MAPK14MAPK13ABL1BRAFRAF1
SCHEMBL2264314 0.89 MAPK14 (0.63) MAPK14MAPK13ABL1BRAFRAF1
SCHEMBL574179 0.89 MAPK14 (0.63) MAPK14MAPK13ABL1BRAFRAF1
SCHEMBL573294 0.88 MAPK14 (0.69) MAPK14MAPK13ABL1BRAFRAF1
SCHEMBL827384 0.86 MAPK14 (0.60) MAPK14MAPK13ABL1RAF1NTRK1
SCHEMBL574472 0.86 MAPK14 (0.59) MAPK14MAPK13ABL1BRAFRET
SCHEMBL828453 0.84 KDR (0.52) MAPK14MAPK13ABL1BRAFCSF1R
SCHEMBL828824 0.84 MAPK14 (0.43) MAPK14MAPK13ABL1BRAFCSF1R
SCHEMBL828291 0.84 KDR (0.45) MAPK14ABL1BRAFRAF1CSF1R

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-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
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 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 (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-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 MAPK14 207/4885MAPK13 290/4885ABL1 3/4885
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.