SCHEMBL6793133

SCHEMBL6793133

CCOC(=O)Cn1nc2c(c1C(=O)OCC)CCC1=C2CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.39
TRPM2 O94759 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
F2RL3 Q96RI0 1/20 0.33
LMNA P02545 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
SCHEMBL6793102 0.89 ALDH1A1 (0.35) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL6794842 0.88 OPRD1 (0.35) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL6798193 0.85 ALDH1A1 (0.41) KMT2AMEN1GAATSHRTRPM2
SCHEMBL6798586 0.85 MAPT (0.34) KMT2AMEN1GAATSHRHTT
SCHEMBL6798838 0.83 ADORA1 (0.35) KDM4ESMN1; SMN2MAPT
SCHEMBL6791964 0.82 KDM4E (0.35) KDM4EMAPT
SCHEMBL6792562 0.80 AURKA (0.51) KMT2AMEN1GAATSHRHTT
SCHEMBL6795358 0.79 ADORA3 (0.33) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL6791026 0.77 SMN1; SMN2 (0.42) KMT2AMEN1GAATSHRTRPM2
SCHEMBL6793950 0.76 CCNA2 (0.39) TSHRALDH1A1HPGDKDM4EHSD17B10

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 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 KMT2A 1257/4885MEN1 1382/4885GAA 3667/4885

“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.