SCHEMBL829042

SCHEMBL829042

CN(C)CCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.57
MAPK13 O15264 3/20 0.56
ABL1 P00519 1/20 0.54
BRAF P15056 4/20 0.49
AXL P30530 1/20 0.48
KDR P35968 2/20 0.48
CSF1R P07333 3/20 0.47
MET P08581 2/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
FLT3 P36888 2/20 0.47
RIPK1 Q13546 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
SCHEMBL573294 0.89 MAPK14 (0.69) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL574179 0.88 MAPK14 (0.63) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL3023870 0.85 BRAF (0.63) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL3265373 0.85 MAPK14 (0.71) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL2921999 0.84 MAPK14 (0.61) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL573910 0.84 MAPK14 (0.59) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL574030 0.83 MAPK14 (0.60) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL574404 0.83 MAPK14 (0.60) MAPK14MAPK13ABL1BRAFKDR
SCHEMBL2928026 0.83 MAPK14 (0.58) MAPK14MAPK13ABL1BRAFAXL
SCHEMBL574511 0.82 MAPK14 (0.65) MAPK14MAPK13ABL1BRAFAXL

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 claimed
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-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.