SCHEMBL828849

SCHEMBL828849

Cc1cn(-c2cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cnn(C)c5)c4)cc3F)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.54
BRAF P15056 5/20 0.51
AXL P30530 1/20 0.48
NR2E1 Q9Y466 6/20 0.48
CSF1R P07333 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
LDLR P01130 1/20 0.45
KIT P10721 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
NR1I2 O75469 1/20 0.44
ABL1 P00519 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
BCR P11274 1/20 0.44
PTGS1 P23219 1/20 0.44
CHRNA4 P43681 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL573468 0.94 KDR (0.54) KDRBRAFNR2E1CSF1RMET
SCHEMBL574516 0.91 KDR (0.51) KDRAXLCSF1RMETPDGFRB
SCHEMBL3808802 0.91 KDR (0.56) KDRBRAFAXLCSF1RMET
SCHEMBL573893 0.91 KDR (0.54) KDRAXLCSF1RMETPDGFRB
SCHEMBL574137 0.89 KDR (0.49) KDRBRAFNR2E1LDLRKIT
SCHEMBL828531 0.89 KDR (0.45) KDRBRAFAXLNR2E1
SCHEMBL574372 0.89 CSF1R (0.58) KDRBRAFAXLCSF1RMET
SCHEMBL828747 0.88 KDR (0.53) KDRBRAFAXLCSF1RMET
SCHEMBL573559 0.88 KDR (0.56) KDRBRAFAXLCSF1RMET
SCHEMBL574063 0.87 KDR (0.55) KDRBRAFAXLCSF1RMET

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 2434/4885BRAF 12/4885AXL 2089/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885BRAF 3/4885AXL 338/4885

“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.