SCHEMBL827299

SCHEMBL827299

Cc1cn(-c2cc(Cl)cc(NC(=O)Nc3cc(Oc4cccc(-c5cn[nH]c5)n4)ccc3F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 1/20 0.40
RIPK1 Q13546 1/20 0.38
NR2E1 Q9Y466 5/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT3 P36888 1/20 0.37
DDR2 Q16832 1/20 0.37
RAF1 P04049 1/20 0.36

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
SCHEMBL574498 0.94 KDR (0.41) KDRABL1BCRRIPK1LCK
SCHEMBL574280 0.93 KDR (0.44) KDRABL1RIPK1NR2E1LCK
SCHEMBL573560 0.92 NR2E1 (0.47) KDRABL1BCRRIPK1NR2E1
SCHEMBL574366 0.89 NTRK1 (0.44) KDRABL1BCRNR2E1IRAK4
SCHEMBL574459 0.87 KDR (0.53) KDR
SCHEMBL572653 0.85 CNR1 (0.45) KDRRIPK1IRAK4
SCHEMBL573479 0.85 FGFR3 (0.39) KDRRIPK1IRAK4
SCHEMBL574209 0.84 CNR1 (0.44) KDRRIPK1IRAK4
SCHEMBL574570 0.83 NTRK1 (0.44) KDRABL1BCRRIPK1LCK
SCHEMBL574238 0.83 NTRK1 (0.44) KDRRIPK1IRAK4LCKFLT3

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 2434/4885ABL1 3/4885BCR 9/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885ABL1 30/4885BCR 93/4885

“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.