SCHEMBL828935

SCHEMBL828935

CC(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(CCN5CCOCC5)c4)c3)cc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
CSF1R P07333 4/20 0.44
EPHX2 P34913 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
FLT1 P17948 2/20 0.43
RAF1 P04049 2/20 0.43
FGFR1 P11362 1/20 0.42
FLT4 P35916 1/20 0.42
AXL P30530 2/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
RET P07949 1/20 0.42
BRAF P15056 2/20 0.41

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
SCHEMBL574161 0.90 KDR (0.49) KDRCSF1REPHX2FLT1RAF1
SCHEMBL827859 0.90 RET (0.46) KDRCSF1RHTR2AHTR2CFLT1
SCHEMBL573892 0.89 KDR (0.48) KDRCSF1REPHX2FLT1RAF1
SCHEMBL828192 0.88 KDR (0.51) KDRCSF1REPHX2HTR2AHTR2C
SCHEMBL573470 0.88 KDR (0.48) KDRCSF1REPHX2FLT1RAF1
SCHEMBL574327 0.87 KDR (0.47) KDRCSF1REPHX2FLT1RAF1
SCHEMBL573813 0.87 KDR (0.59) KDRCSF1RFLT1FGFR1AXL
SCHEMBL574384 0.86 KDR (0.46) KDRCSF1REPHX2FLT1RAF1
SCHEMBL574472 0.85 MAPK14 (0.59) KDRFLT1RETBRAF
SCHEMBL2264354 0.85 KDR (0.56) KDRCSF1REPHX2RAF1BRAF

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 3 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
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 2434/4885CSF1R 1244/4885EPHX2 3370/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885CSF1R 197/4885EPHX2 2351/4885

“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.