SCHEMBL5352364

SCHEMBL5352364

Fc1ccc(-c2nn(-c3ccc4nncn4n3)cc2-c2ccnc(NCCc3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPK14 Q16539 7/20 0.44
MAPK13 O15264 5/20 0.44
MAPK12 P53778 5/20 0.44
MAPK11 Q15759 5/20 0.44
MAPK10 P53779 8/20 0.43
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
FLT4 P35916 1/20 0.42
HTR7 P34969 1/20 0.38
BRAF P15056 1/20 0.37
PDGFRA P16234 1/20 0.35
TGFBR1 P36897 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5356877 0.87 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5355710 0.85 MAPK10 (0.37) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL13504615 0.84 MAPK10 (0.39) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5354329 0.84 CSNK1D (0.42) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5352361 0.82 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL5356427 0.82 MAPK14 (0.49) KDM4EMAPK14MAPK10CSNK1DCSNK1E
SCHEMBL5353381 0.81 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK10
Ethylbenzene SCHEMBL5360059 0.81 CSNK1D (0.36) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5355470 0.81 MAPK10 (0.41) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5350468 0.81 TGFBR1 (0.41) MAPK14MAPK13MAPK12MAPK11BRAF

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
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US claimed
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 claimed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP claimed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP 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
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 (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-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 KDM4E 1462/4885MAPK14 39/4885MAPK13 35/4885

“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.