SCHEMBL574276

SCHEMBL574276

O=C(Nc1cccc(N2CCCCC2)c1)Nc1cc(Oc2cccc(-c3cn[nH]c3)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
RIPK1 Q13546 1/20 0.42
CNR1 P21554 13/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CNR2 P34972 1/20 0.41
KDR P35968 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
FAAH O00519 1/20 0.40
ROCK2 O75116 1/20 0.38

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
SCHEMBL574017 0.99 NTRK1 (0.43) NTRK1RIPK1CNR1ABL1BCR
SCHEMBL3805067 0.95 CNR1 (0.46) NTRK1RIPK1CNR1ABL1BCR
SCHEMBL574080 0.92 NTRK1 (0.52) NTRK1RIPK1KDRIRAK4
SCHEMBL574231 0.92 MET (0.43) NTRK1RIPK1KDRIRAK4
SCHEMBL574209 0.92 CNR1 (0.44) RIPK1CNR1CNR2KDRIRAK4
SCHEMBL572653 0.92 CNR1 (0.45) RIPK1CNR1CNR2KDRIRAK4
SCHEMBL574134 0.91 CNR1 (0.43) RIPK1CNR1KDRIRAK4
SCHEMBL574212 0.90 CNR1 (0.44) RIPK1CNR1KDRIRAK4
SCHEMBL573369 0.90 KDR (0.49) NTRK1RIPK1KDR
SCHEMBL573933 0.89 RIPK1 (0.40) NTRK1RIPK1CNR1KDRROCK2

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 1105/4885RIPK1 1293/4885CNR1 4055/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NTRK1 211/4885RIPK1 887/4885CNR1 3279/4885

“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.