SCHEMBL5357705

SCHEMBL5357705

COc1cc(-c2c[nH]nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
DYRK1A Q13627 2/20 0.45
LRRK2 Q5S007 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
IDO1 P14902 1/20 0.42
ADORA2A P29274 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TDO2 P48775 1/20 0.40
GRM5 P41594 1/20 0.39
CLK1 P49759 1/20 0.39
KIT P10721 1/20 0.39
ACVR2A P27037 1/20 0.39
TGFBR2 P37173 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
SCHEMBL28743004 0.84 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL14411267 0.83 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11DYRK1A
SCHEMBL14591617 0.83 IDO1 (0.40) MAPK14MAPK13MAPK12MAPK11PDE3B
SCHEMBL4101681 0.83 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11DYRK1A
SCHEMBL5445557 0.82 TGFBR1 (0.46) MAPK14MAPK13MAPK12MAPK11PDE3B
SCHEMBL14143256 0.80 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5253905 0.80 MAP2K4 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL21067592 0.79 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11DYRK1A
SCHEMBL3852041 0.78 TDO2 (0.49) MAPK14DYRK1ATDO2CLK1KIT
SCHEMBL5253892 0.77 NPY5R (0.47) LRRK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 MAPK14 39/4885MAPK13 35/4885MAPK12 38/4885

“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.