SCHEMBL5353875

SCHEMBL5353875

Nc1cc(-c2cn(C3=NNC(=O)CC3)nc2-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDGFRA P16234 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
BRAF P15056 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
SCN9A Q15858 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL5348807 0.88 BUB1 (0.38) MAPK10ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL5356281 0.87 SMN1; SMN2 (0.38) MAPK10DYRK1APDE3BPDE3ABRAF
SCHEMBL5347189 0.86 BRAF (0.38) MAPK10DYRK1APDE3BPDE3AADORA2A
SCHEMBL5353375 0.83 PDE3B (0.43) MAPK10PDE3BPDE3ABRAFMAPK3
SCHEMBL1957450 0.83 CSNK1D (0.41) MAPK10ROCK2PDE3BPDE3AADORA2A
SCHEMBL5921573 0.83 PDE3B (0.41) ROCK2ROCK1DYRK1APDE3BPDE3A
SCHEMBL5351774 0.82 BRAF (0.41) MAPK10DYRK1APDE3BPDE3ABRAF
SCHEMBL5348361 0.82 PDE3B (0.40) DYRK1APDE3BPDE3AADORA2AADORA1
SCHEMBL5353194 0.82 BRAF (0.41) ROCK2DYRK1APDE3BPDE3ABRAF
SCHEMBL5354405 0.82 PDE3B (0.42) MAPK10DYRK1APDE3BPDE3ABRAF

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 7 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
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 MAPK10 51/4885ROCK2 208/4885ROCK1 174/4885

“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.