SCHEMBL5352369

SCHEMBL5352369

Fc1ccc(-c2nn(-c3ccc(Cl)nn3)cc2-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.61
SRC P12931 4/20 0.61
KDR P35968 4/20 0.61
MAPK14 Q16539 7/20 0.58
CSNK1D P48730 3/20 0.58
CSNK1E P49674 3/20 0.58
MAPK13 O15264 2/20 0.58
MAPK12 P53778 2/20 0.58
MAPK11 Q15759 2/20 0.58
PTGS2 P35354 4/20 0.48
CSNK1A1 P48729 2/20 0.41
EGFR P00533 2/20 0.41
MAP4K4 O95819 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
RIPK2 O43353 1/20 0.39
TNK2 Q07912 1/20 0.39
PTK6 Q13882 1/20 0.39
MINK1 Q8N4C8 1/20 0.39

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
SCHEMBL5356381 0.76 KDR (0.52) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL5348818 0.76 CSNK1E (0.44) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL5354206 0.76 BRAF (0.54) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL1647214 0.75 KDR (0.72) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL5352200 0.74 IRAK4 (0.42) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL5698604 0.74 CSNK1D (1.00) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL5257540 0.74 CSNK1D (1.00) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL15070210 0.73 BRAF (0.56) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL5356733 0.73 CSNK1D (0.38) BRAFSRCKDRMAPK14CSNK1D
SCHEMBL14839424 0.72 BRAF (1.00) BRAFSRCKDRMAPK14CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US 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-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 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 (3 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 BRAF 2044/4885SRC 3264/4885KDR 534/4885
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 BRAF 19/4885SRC 216/4885KDR 813/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 BRAF 2413/4885SRC 3785/4885KDR 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.