SCHEMBL5347433

SCHEMBL5347433

CSc1nccc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 7/20 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
MAPK14 Q16539 8/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CSNK1D P48730 9/20 0.40
JAK3 P52333 1/20 0.40
TGFBR1 P36897 1/20 0.37
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 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
SCHEMBL5355304 0.86 MAPK14 (0.42) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL5351834 0.84 CTSS (0.37) CSNK1EMAPK14CSNK1DTGFBR1MAP4K4
SCHEMBL5356614 0.84 TGFBR1 (0.36) CSNK1EMAPK14CSNK1DTGFBR1MAP4K4
SCHEMBL5348818 0.81 CSNK1E (0.44) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL5350468 0.79 TGFBR1 (0.41) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL5356381 0.78 KDR (0.52) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL5349499 0.78 MAPK14 (0.48) CDK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5354635 0.77 MAPK14 (0.43) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL5347667 0.77 MAPK14 (0.40) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL5354096 0.77 CSNK1D (0.40) CSNK1EMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CSNK1E 407/4885CCNA2 1238/4885CDK2 92/4885

“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.