SCHEMBL6791255

SCHEMBL6791255

O=C(O)c1[nH]nc2c1CCc1[nH]nc(SCc3ccccc3)c1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 3/20 0.40
ALPL P05186 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
CLK1 P49759 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 2/20 0.38
DAO P14920 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HTT P42858 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34

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
SCHEMBL6800277 0.91 CCNA2 (0.46) LMNAKDM4EALPLHSD17B10MEN1
SCHEMBL6788219 0.87 AURKA (0.52) LMNAKDM4EHSD17B10MEN1KMT2A
SCHEMBL6787314 0.78 KDM4E (0.41) KDM4EALPLHSD17B10MEN1CLK1
Hydrochloric Acid SCHEMBL6787558 0.70 CCNA2 (0.42) KDM4EALPLHSD17B10MEN1CLK1
SCHEMBL6787179 0.70 LMNA (0.38) LMNAKDM4EALDH1A1DAOL3MBTL1
Hydrochloric Acid SCHEMBL6792133 0.68 ADORA2A (0.36) LMNAKDM4EHSD17B10ALDH1A1CCNA2
SCHEMBL6786859 0.67 CCNA2 (0.51) KDM4EALPLHSD17B10MEN1CLK1
SCHEMBL6788707 0.66 KMT2A (0.39) KDM4EALPLHSD17B10MEN1CLK1
Hydrochloric Acid SCHEMBL6795156 0.64 KDM4E (0.38) KDM4EALPLHSD17B10MEN1CLK1
SCHEMBL6071119 0.63 AURKA (0.68) LMNAKDM4EALPLHSD17B10MEN1

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 LMNA 4286/4885KDM4E 2167/4885ALPL 3297/4885

“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.