SCHEMBL574093

SCHEMBL574093

Cn1cc(-c2cccc(Oc3ccc(F)c(NC(=O)Nc4cccc(N5CCCCC5)c4)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.51
KDR P35968 4/20 0.46
RET P07949 1/20 0.46
EPHB2 P29323 1/20 0.46
CNR1 P21554 10/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
AURKB Q96GD4 2/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CNR2 P34972 1/20 0.40
AURKA O14965 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL573903 0.99 NTRK1 (0.51) NTRK1KDRRETEPHB2CNR1
SCHEMBL573680 0.92 NTRK1 (0.49) NTRK1KDRRETEPHB2IRAK4
SCHEMBL574518 0.92 NTRK1 (0.46) NTRK1KDRRETEPHB2CNR1
SCHEMBL574253 0.92 NTRK1 (0.45) NTRK1KDRRETEPHB2CNR1
SCHEMBL574608 0.92 NTRK1 (0.46) NTRK1KDRRETEPHB2CNR1
SCHEMBL573816 0.91 NTRK1 (0.46) NTRK1KDRRETEPHB2CNR1
SCHEMBL574328 0.90 NTRK1 (0.54) NTRK1KDRRETEPHB2
SCHEMBL573043 0.90 NTRK1 (0.48) NTRK1KDRRETEPHB2IRAK4
SCHEMBL574211 0.89 NTRK1 (0.55) NTRK1KDRRETEPHB2
SCHEMBL574746 0.88 KDR (0.54) KDR

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 NTRK1 1105/4885KDR 2434/4885RET 190/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NTRK1 211/4885KDR 239/4885RET 4/4885

“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.