SCHEMBL573933

SCHEMBL573933

O=C1CCN(c2cccc(NC(=O)Nc3cc(Oc4cccc(-c5cn[nH]c5)n4)ccc3F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.40
NTRK1 P04629 2/20 0.39
KDR P35968 5/20 0.39
RIPK3 Q9Y572 4/20 0.36
ROCK2 O75116 3/20 0.36
CDK8 P49336 1/20 0.36
CNR1 P21554 2/20 0.35
BRAF P15056 1/20 0.35
TEK Q02763 1/20 0.34

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
SCHEMBL574358 0.93 IRAK4 (0.37) RIPK1KDRROCK2CNR1
SCHEMBL573160 0.92 KDR (0.39) RIPK1KDRRIPK3ROCK2CNR1
SCHEMBL573446 0.90 RIPK1 (0.42) RIPK1NTRK1KDRBRAFTEK
SCHEMBL574017 0.90 NTRK1 (0.43) RIPK1NTRK1KDRROCK2CNR1
SCHEMBL574276 0.89 NTRK1 (0.42) RIPK1NTRK1KDRROCK2CNR1
SCHEMBL574428 0.88 KDR (0.52) RIPK1KDR
SCHEMBL574080 0.88 NTRK1 (0.52) RIPK1NTRK1KDRBRAF
SCHEMBL574231 0.88 MET (0.43) RIPK1NTRK1KDRRIPK3BRAF
SCHEMBL573043 0.88 NTRK1 (0.48) RIPK1NTRK1KDRRIPK3
SCHEMBL3805067 0.86 CNR1 (0.46) RIPK1NTRK1KDRCNR1

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 RIPK1 1293/4885NTRK1 1105/4885KDR 2434/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF RIPK1 887/4885NTRK1 211/4885KDR 239/4885

“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.