SCHEMBL6793213

SCHEMBL6793213

O=C1CCCn2nc3c(c21)CCc1cnccc1-3

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK10 P53779 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM1 P11229 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CHRM4 P08173 1/20 0.30
THRB P10828 2/20 0.30
TGFBR1 P36897 2/20 0.30
MAPK14 Q16539 2/20 0.30
PTGER1 P34995 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL4260846 0.84 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6794985 0.83 SIGMAR1 (0.32) SIGMAR1
SCHEMBL6794726 0.81 BRAF (0.34) SIGMAR1MAPK10TGFBR1
SCHEMBL6794720 0.81 BRAF (0.34) SIGMAR1MAPK10TGFBR1
SCHEMBL460089 0.81 CDC7 (0.39) SIGMAR1
SCHEMBL6798659 0.80 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6795084 0.78 GPR119 (0.35) CYP11B2
Hydrochloric Acid SCHEMBL4263968 0.76 PDPK1 (0.33) AAK1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6798947 0.73 GRIN2B (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL6788008 0.73 TDP1 (0.33)

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 SIGMAR1 4084/4885ALDH1A1 4449/4885MAPK10 108/4885

“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.