SCHEMBL1646508

SCHEMBL1646508

Fc1ccc(-c2nn(-c3cc(C(F)(F)F)ncn3)cc2-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.61
BRAF P15056 3/20 0.61
KDR P35968 3/20 0.61
MAPK14 Q16539 8/20 0.50
CSNK1D P48730 4/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50
MAPK11 Q15759 4/20 0.50
CSNK1E P49674 3/20 0.50
PTGS2 P35354 1/20 0.43
CSNK1A1 P48729 3/20 0.40
MAP4K4 O95819 2/20 0.40
MAPK9 P45984 2/20 0.40
EGFR P00533 1/20 0.40
FRK P42685 1/20 0.40
SLC34A1 Q06495 1/20 0.39
KIT P10721 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL15070210 0.84 BRAF (0.56) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL1647214 0.78 KDR (0.72) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL14839424 0.76 BRAF (1.00) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL5352369 0.71 BRAF (0.61) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL1646570 0.71 BRAF (0.62) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL5354206 0.70 BRAF (0.54) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL5354346 0.69 BRAF (0.52) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL5356381 0.68 KDR (0.52) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL1646015 0.68 MAPK14 (0.59) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL5698604 0.68 CSNK1D (1.00) SRCBRAFKDRMAPK14CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B SRC 3264/4885BRAF 2044/4885KDR 534/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 SRC 3785/4885BRAF 2413/4885KDR 127/4885

“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.