SCHEMBL6794835

SCHEMBL6794835

C=CCn1nc2c(c1C(=O)OCC)CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLAT P00750 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
DHFR P00374 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
NPY2R P49146 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6793099 0.88 LMNA (0.36) ALDH1A1KDM4EHPGDHSD17B10PLAT
SCHEMBL6793129 0.88 MEN1 (0.39) ALDH1A1KDM4EHPGDHSD17B10PLAT
SCHEMBL6798581 0.84 OPRM1 (0.33) ALDH1A1KDM4EHPGDHSD17B10PLAT
SCHEMBL6798834 0.82 DRD2 (0.36) KDM4EMAPTKCNA3
SCHEMBL6791584 0.80 MEN1 (0.36) ALDH1A1
SCHEMBL6792555 0.79 AURKA (0.47) ALDH1A1KDM4EHPGDHSD17B10PLAT
SCHEMBL6790712 0.78 P2RY12 (0.34) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL6794842 0.76 OPRD1 (0.35) OPRD1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6793946 0.76 CCNA2 (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6798186 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA

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 OPRD1 3185/4885ALDH1A1 4449/4885KDM4E 2167/4885

“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.