SCHEMBL6799718

SCHEMBL6799718

NC(=O)c1cc2c(c3ccncc13)NNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKMYT1 Q99640 1/20 0.38
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 4/20 0.35
BAD Q92934 1/20 0.35
CYP11B2 P19099 1/20 0.34
CDC7 O00311 4/20 0.34
CLK1 P49759 2/20 0.34
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CASP1 P29466 1/20 0.33
MAP2 P11137 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
SCHEMBL35211549 0.66 KDM4C (0.40) KDM4EHTT
SCHEMBL4357845 0.64 ALDH1A1 (0.59) KDM4EHTTSIRT3TDP1PIM1
SCHEMBL26347775 0.64 KDM5A (0.62) KDM4EHTTSIRT3TDP1PIM1
SCHEMBL22558950 0.62 SIRT3 (0.49) KDM4EHTTSIRT3TDP1DYRK1A
SCHEMBL5800959 0.61 SIRT3 (0.56) KDM4EHTTSIRT3TDP1PIM1
SCHEMBL22049722 0.61 ALDH1A1 (0.59) KDM4EHTTSIRT3TDP1PIM1
SCHEMBL6343173 0.61 ALDH1A1 (0.46) KDM4EHTTSIRT3TDP1DYRK1A
SCHEMBL1330970 0.61 TDP1 (0.67) KDM4EHTTSIRT3TDP1PIM1
SCHEMBL1687197 0.61 TDP1 (0.67) KDM4EHTTSIRT3TDP1PIM1
SCHEMBL29900258 0.60 KDM4E (0.57) KDM4EHTTSIRT3TDP1PIM1

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 KDM4E 2167/4885HTT 4566/4885SIRT3 1123/4885

“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.