SCHEMBL5354635

SCHEMBL5354635

CSc1nccc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
CSNK1D P48730 8/20 0.43
JAK3 P52333 1/20 0.43
CSNK1E P49674 3/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK11 Q15759 3/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAP4K4 O95819 2/20 0.38
MAPK9 P45984 2/20 0.38
CSNK1A1 P48729 2/20 0.38
EGFR P00533 1/20 0.38
FRK P42685 1/20 0.38
LMNA P02545 2/20 0.36

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
SCHEMBL5360781 0.85 MAPK14 (0.42) MAPK14CSNK1DCSNK1ECCNA2CDK2
SCHEMBL5354662 0.85 MAP4K4 (0.38) MAPK14CSNK1DCSNK1EMAPK11ALDH1A1
SCHEMBL5920690 0.83 MAP4K4 (0.36) MAPK14CSNK1DCSNK1EMAPK11MAPK13
SCHEMBL5348818 0.80 CSNK1E (0.44) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5348266 0.78 MAPK14 (0.48) MAPK14CDK2MAPK11MAPK13MAPK12
SCHEMBL5347433 0.77 CSNK1E (0.43) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5354206 0.77 BRAF (0.54) MAPK14CSNK1DCSNK1EMAPK11MAPK13
SCHEMBL5356236 0.76 BRAF (0.40) MAPK14CSNK1DCSNK1EMAPK11MAPK13
SCHEMBL5349463 0.76 CSNK1D (0.43) MAPK14CSNK1DCSNK1EMAPK11MAPK13
SCHEMBL1554892 0.75 CSNK1E (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2

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 39/4885CSNK1D 175/4885JAK3 45/4885

“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.