SCHEMBL574138

SCHEMBL574138

Cc1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)c(F)c2)cc(N2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.52
AXL P30530 1/20 0.52
BRAF P15056 7/20 0.47
CSF1R P07333 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL574386 0.99 KDR (0.52) KDRAXLBRAFCSF1RMET
SCHEMBL828512 0.93 KDR (0.51) KDRAXLBRAFCSF1RMET
SCHEMBL573639 0.93 KDR (0.55) KDRAXLBRAFCSF1RMET
SCHEMBL574168 0.92 KDR (0.52) KDRAXLBRAFCSF1RMET
SCHEMBL574270 0.91 KDR (0.53) KDRAXLBRAFCSF1RMET
SCHEMBL573842 0.90 KDR (0.52) KDRAXLBRAFCSF1RMET
SCHEMBL574105 0.90 AXL (0.51) KDRAXLBRAFCSF1RMET
SCHEMBL572871 0.90 KDR (0.63) KDRBRAF
SCHEMBL573428 0.89 KDR (0.52) KDRAXLBRAFCSF1RMET
SCHEMBL574254 0.89 KDR (0.64) KDRBRAF

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 KDR 2434/4885AXL 2089/4885BRAF 12/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885AXL 338/4885BRAF 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.