SCHEMBL6791763

SCHEMBL6791763

C=CCn1nc2c(c1C(N)=O)CCc1cc(OCOCCOC)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CHEK2 O96017 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALPL P05186 1/20 0.35
CLK1 P49759 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
FYN P06241 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CTNNB1 P35222 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6787702 0.92 MEN1 (0.39) AOC3NPC1RAB9AMEN1KMT2A
SCHEMBL6792512 0.89 AOC3 (0.35) AOC3NPC1RAB9AMEN1KMT2A
SCHEMBL6793267 0.76 MEN1 (0.57) AOC3NPC1RAB9AMEN1KMT2A
SCHEMBL6793511 0.73 CDK2 (0.33) KDM4ESMN1; SMN2HPGDAURKACCNA2
SCHEMBL6792508 0.71 MEN1 (0.70) AOC3NPC1RAB9AMEN1KMT2A
SCHEMBL6791799 0.70 HCAR2 (0.43) MEN1KMT2A
SCHEMBL19150954 0.69 MEN1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6790470 0.69 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6794954 0.66 MAPKAPK2 (0.39) CHEK2AURKACCNA2CDK2CCNA1
SCHEMBL6790419 0.66 CTNNB1 (0.40) AOC3KDM4EITGB3ITGA2BHRH3

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 2 patents. 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
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 AOC3 4118/4885NPC1 4242/4885RAB9A 2148/4885

“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.