SCHEMBL828291

SCHEMBL828291

CC(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(CC#N)c4)c3)cc2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.45
FGFR1 P11362 2/20 0.45
BRAF P15056 6/20 0.43
FLT1 P17948 3/20 0.43
MAPK14 Q16539 2/20 0.42
ABL1 P00519 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
FLT3 P36888 2/20 0.42
RIPK2 O43353 1/20 0.42
ABCB11 O95342 1/20 0.42
RAF1 P04049 1/20 0.42
NR3C1 P04150 1/20 0.42
RET P07949 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KIT P10721 1/20 0.42
CHRM1 P11229 1/20 0.42
BCR P11274 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL573470 0.91 KDR (0.48) KDRFGFR1BRAFFLT1MAPK14
SCHEMBL574161 0.90 KDR (0.49) KDRFGFR1BRAFFLT1MAPK14
SCHEMBL573892 0.89 KDR (0.48) KDRFGFR1BRAFFLT1MAPK14
SCHEMBL574384 0.89 KDR (0.46) KDRFGFR1BRAFFLT1MAPK14
SCHEMBL828824 0.88 MAPK14 (0.43) KDRBRAFFLT1MAPK14ABL1
SCHEMBL574327 0.87 KDR (0.47) KDRFGFR1BRAFFLT1MAPK14
SCHEMBL828453 0.87 KDR (0.52) KDRBRAFFLT1MAPK14ABL1
SCHEMBL573813 0.87 KDR (0.59) KDRFGFR1BRAFFLT1ABL1
SCHEMBL828935 0.85 KDR (0.47) KDRFGFR1BRAFFLT1PDGFRB
SCHEMBL826920 0.84 KDR (0.57) KDRBRAFFLT1PDGFRBPDGFRA

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 5 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-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO 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 KDR 2434/4885FGFR1 678/4885BRAF 12/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885FGFR1 233/4885BRAF 3/4885

“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.