SCHEMBL574134

SCHEMBL574134

Cc1cc(NC(=O)Nc2cc(Oc3cccc(-c4cn[nH]c4)n3)ccc2F)cc(N2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
KDR P35968 11/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIPK1 Q13546 2/20 0.39
RIPK3 Q9Y572 1/20 0.39
MAP3K5 Q99683 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
SCHEMBL574212 0.99 CNR1 (0.44) CNR1KDRIRAK4NPC1GAA
SCHEMBL574121 0.93 KDR (0.42) CNR1KDRIRAK4RIPK1RIPK3
SCHEMBL574209 0.93 CNR1 (0.44) CNR1KDRIRAK4RIPK1
SCHEMBL572653 0.92 CNR1 (0.45) CNR1KDRIRAK4RIPK1
SCHEMBL574276 0.91 NTRK1 (0.42) CNR1KDRIRAK4RIPK1
SCHEMBL574017 0.90 NTRK1 (0.43) CNR1KDRIRAK4RIPK1
SCHEMBL573160 0.90 KDR (0.39) CNR1KDRRIPK1RIPK3
SCHEMBL573369 0.90 KDR (0.49) KDRRIPK1
SCHEMBL573650 0.89 KDR (0.49) KDRRIPK1
SCHEMBL3805067 0.89 CNR1 (0.46) CNR1KDRIRAK4RIPK1

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 CNR1 4055/4885KDR 2434/4885IRAK4 1542/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF CNR1 3279/4885KDR 239/4885IRAK4 501/4885

“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.