SCHEMBL573560

SCHEMBL573560

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 14/20 0.47
KDR P35968 1/20 0.47
RAF1 P04049 2/20 0.46
LDLR P01130 3/20 0.46
KIT P10721 3/20 0.46
PCSK9 Q8NBP7 3/20 0.46
ABL1 P00519 2/20 0.44
PDGFRB P09619 2/20 0.44
EPHB6 O15197 1/20 0.44
CA12 O43570 1/20 0.44
CACNA1F O60840 1/20 0.44
SLC22A3 O75751 1/20 0.44
STK10 O94804 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
CA3 P07451 1/20 0.44
YES1 P07947 1/20 0.44

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
SCHEMBL827299 0.92 KDR (0.40) NR2E1KDRRAF1KITABL1
SCHEMBL574498 0.92 KDR (0.41) KDRRAF1KITABL1PDGFRB
SCHEMBL574280 0.90 KDR (0.44) NR2E1KDRKITABL1PDGFRB
SCHEMBL827379 0.90 NTRK1 (0.52) NR2E1KDRRAF1LDLRKIT
SCHEMBL574587 0.88 KDR (0.51) NR2E1KDRRAF1LDLRKIT
SCHEMBL573650 0.86 KDR (0.49) KDRBRAFTEKMAPK14TNNI3K
SCHEMBL574207 0.85 KDR (0.45) KDRBRAFTEKMAPK14TNNI3K
SCHEMBL573369 0.85 KDR (0.49) KDRBRAFTEKMAPK14TNNI3K
SCHEMBL573612 0.84 KDR (0.51) KDRRAF1BRAFTEKRIPK1
SCHEMBL573446 0.83 RIPK1 (0.42) KDRBRAFTEKMAPK14TNNI3K

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 6 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
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO 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 NR2E1 2369/4885KDR 2434/4885RAF1 17/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NR2E1 3773/4885KDR 239/4885RAF1 22/4885

“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.