SCHEMBL6794726

SCHEMBL6794726

ON=C1CCCn2nc3c(c21)CCc1cnccc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.34
MAPK3 P27361 14/20 0.34
MAPK1 P28482 14/20 0.34
SIGMAR1 Q99720 1/20 0.33
ROCK2 O75116 1/20 0.32
GRK2 P25098 1/20 0.32
BMPR1B O00238 2/20 0.31
CIT O14578 2/20 0.31
RIPK2 O43353 2/20 0.31
STK10 O94804 2/20 0.31
MAP4K4 O95819 2/20 0.31
ABL1 P00519 2/20 0.31
RAF1 P04049 2/20 0.31
ERBB3 P21860 2/20 0.31
JAK1 P23458 2/20 0.31
ACVR1B P36896 2/20 0.31
TGFBR1 P36897 2/20 0.31
CSNK1D P48730 2/20 0.31
CSNK1E P49674 2/20 0.31
MAPK10 P53779 2/20 0.31

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
SCHEMBL6794720 1.00 BRAF (0.34) BRAFMAPK3MAPK1SIGMAR1ROCK2
SCHEMBL6793213 0.81 SIGMAR1 (0.35) SIGMAR1TGFBR1MAPK10
SCHEMBL4260846 0.76 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6794985 0.75 SIGMAR1 (0.32) SIGMAR1
SCHEMBL460089 0.73 CDC7 (0.39) SIGMAR1
SCHEMBL6798659 0.72 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6795084 0.71 GPR119 (0.35)
SCHEMBL2687562 0.70 HPGD (0.53) BRAFMAPK3MAPK1SIGMAR1ROCK2
SCHEMBL2885100 0.70 HPGD (0.53) BRAFMAPK3MAPK1SIGMAR1ROCK2
SCHEMBL2687559 0.70 HPGD (0.53) BRAFMAPK3MAPK1SIGMAR1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 BRAF 316/4885MAPK3 46/4885MAPK1 54/4885

“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.