SCHEMBL572529

SCHEMBL572529

Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)ccn2)cn1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.85
BRAF P15056 7/20 0.66
RAF1 P04049 2/20 0.66
RIPK2 O43353 1/20 0.66
ABCB11 O95342 1/20 0.66
ABL1 P00519 1/20 0.66
NR3C1 P04150 1/20 0.66
RET P07949 1/20 0.66
HTR1A P08908 1/20 0.66
PDGFRB P09619 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
KIT P10721 1/20 0.66
CHRM1 P11229 1/20 0.66
BCR P11274 1/20 0.66
FGFR1 P11362 1/20 0.66
RARG P13631 1/20 0.66
PDGFRA P16234 1/20 0.66
FLT1 P17948 1/20 0.66
MAOA P21397 1/20 0.66
EPHA1 P21709 1/20 0.66

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
SCHEMBL27882962 0.94 KDR (0.88) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL27860285 0.92 KDR (0.85) KDRBRAFRAF1
SCHEMBL27876957 0.92 KDR (0.85) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL17179246 0.92 KDR (1.00) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL28799963 0.92 KDR (0.84) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL27866671 0.92 KDR (0.84) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL5436585 0.89 KDR (0.70) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL27877020 0.89 KDR (0.79) KDRBRAFRAF1RIPK2ABCB11
SCHEMBL27847250 0.89 KDR (0.87) KDRRAF1RETFLT1
SCHEMBL27866669 0.88 KDR (0.67) KDRBRAFRAF1RIPK2ABCB11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558144-A Aryl urea derivatives UNIV PEKING FOUNDER GROUP CO 2012-07-11 CN claimed
CN-102558144-A Aryl urea derivatives UNIV PEKING FOUNDER GROUP CO 2012-07-11 CN disclosed
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 KDR 2434/4885BRAF 12/4885RAF1 17/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885BRAF 3/4885RAF1 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.