SCHEMBL5420322

SCHEMBL5420322

COCCOc1ccc(NC(=O)Nc2ccc(Oc3cc(-c4nnco4)ncn3)cc2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.49
RAF1 P04049 7/20 0.49
KDR P35968 14/20 0.46
MAPK14 Q16539 9/20 0.46
TNNI3K Q59H18 9/20 0.46
RET P07949 2/20 0.45
STK25 O00506 1/20 0.45
CIT O14578 1/20 0.45
MAP2K7 O14733 1/20 0.45
IKBKB O14920 1/20 0.45
AURKA O14965 1/20 0.45
GAK O14976 1/20 0.45
CHUK O15111 1/20 0.45
MUSK O15146 1/20 0.45
MAPK13 O15264 1/20 0.45
MAP3K13 O43283 1/20 0.45
DAPK3 O43293 1/20 0.45
MAP3K7 O43318 1/20 0.45
RIPK2 O43353 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL5333931 0.84 KDR (0.61) BRAFRAF1KDRPDGFRBKIT
SCHEMBL5343043 0.81 KDR (0.60) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL5424039 0.78 KDR (0.62) BRAFRAF1KDRRETCDK8
SCHEMBL5419476 0.77 KDR (0.54) BRAFKDRMAPK14TNNI3KMAP2K7
SCHEMBL5345003 0.77 KDR (0.47) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL5341654 0.76 KDR (0.54) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL5338822 0.75 KDR (0.45) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL14447566 0.74 MAP4K4 (0.41) BRAFKDRMAPK14TNNI3KMAP2K7
SCHEMBL5450897 0.73 RAF1 (0.56) BRAFRAF1KDR
SCHEMBL5350860 0.72 KDR (0.62) BRAFRAF1KDRMAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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 (1 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 BRAF 1/4885RAF1 3/4885KDR 555/4885

“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.