SCHEMBL573468

SCHEMBL573468

Cc1cn(-c2cc(NC(=O)Nc3cc(Oc4ccnc(-c5cnn(C)c5)c4)ccc3F)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
NR2E1 Q9Y466 7/20 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
BRAF P15056 2/20 0.44
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
RAF1 P04049 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
SCHEMBL828849 0.94 KDR (0.54) KDRNR2E1CSF1RMETPDGFRB
SCHEMBL574210 0.91 KDR (0.51) KDRCSF1RMETPDGFRBPDGFRA
SCHEMBL573871 0.91 KDR (0.54) KDRCSF1RMETPDGFRBPDGFRA
SCHEMBL826931 0.91 KDR (0.48) KDRNR2E1CSF1RMETPDGFRB
SCHEMBL574587 0.89 KDR (0.51) KDRNR2E1LDLRKITPCSK9
SCHEMBL574372 0.89 CSF1R (0.58) KDRCSF1RMETPDGFRBPDGFRA
SCHEMBL573918 0.88 KDR (0.52) KDRCSF1RMETPDGFRBPDGFRA
SCHEMBL827379 0.88 NTRK1 (0.52) KDRNR2E1CSF1RPDGFRBPDGFRA
SCHEMBL573945 0.88 KDR (0.56) KDRCSF1RMETPDGFRBPDGFRA
SCHEMBL574104 0.87 KDR (0.55) KDRCSF1RMETPDGFRBPDGFRA

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 2434/4885NR2E1 2369/4885CSF1R 1244/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885NR2E1 3773/4885CSF1R 197/4885

“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.