SCHEMBL6787702

SCHEMBL6787702

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
CLK1 P49759 1/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
AOC3 Q16853 4/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTT P42858 2/20 0.34
CTNNB1 P35222 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
LSS P48449 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL6791763 0.92 AOC3 (0.35) MEN1KMT2AHSD17B10KDM4EALPL
SCHEMBL6792512 0.90 AOC3 (0.35) MEN1KMT2AHSD17B10KDM4EALPL
SCHEMBL6791799 0.79 HCAR2 (0.43) MEN1KMT2A
SCHEMBL6792508 0.76 MEN1 (0.70) MEN1KMT2AHSD17B10KDM4EALPL
SCHEMBL6787073 0.72 ALDH1A1 (0.32) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL6793267 0.71 MEN1 (0.57) MEN1KMT2AHSD17B10KDM4EALPL
SCHEMBL6794633 0.70 KDM4E (0.33) KDM4EHPGD
SCHEMBL6790470 0.69 MEN1 (0.54) MEN1KMT2AHSD17B10KDM4EALPL
SCHEMBL19128564 0.69 KDM4E (0.59) MEN1KMT2AHSD17B10KDM4EALPL
SCHEMBL6790423 0.69 CTNNB1 (0.40) KDM4EAOC3HRH3CTNNB1ITGB3

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 MEN1 1382/4885KMT2A 1257/4885HSD17B10 2776/4885

“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.