SCHEMBL574081

SCHEMBL574081

CCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)c(F)c3)ccn2)cn1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.64
MAPK13 O15264 3/20 0.64
RAF1 P04049 2/20 0.47
ABL1 P00519 1/20 0.45
KDR P35968 4/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
EPHB2 P29323 1/20 0.43
AXL P30530 1/20 0.43
KRAS P01116 1/20 0.43
BRAF P15056 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL574062 0.93 MAPK14 (0.63) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL574510 0.92 MAPK14 (0.61) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL827384 0.91 MAPK14 (0.60) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL574285 0.91 MAPK14 (0.59) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL572748 0.90 MAPK14 (0.66) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL574334 0.89 MAPK14 (0.57) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL574511 0.85 MAPK14 (0.65) MAPK14MAPK13RAF1ABL1KDR
SCHEMBL573577 0.84 MAPK14 (0.56) MAPK14MAPK13KDRNTRK1RET
SCHEMBL573810 0.84 MAPK13 (0.57) MAPK14MAPK13KDRNTRK1RET
SCHEMBL574098 0.84 MAPK13 (0.57) MAPK14MAPK13RAF1KDRNTRK1

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 290/4885RAF1 17/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF MAPK14 264/4885MAPK13 158/4885RAF1 22/4885

“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.