SCHEMBL6798581

SCHEMBL6798581

CCOC(=O)c1c2c(nn1CCCC#N)C1=CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)NC1CC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
KCNA3 P22001 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 7/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
P2RY12 Q9H244 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PLAT P00750 1/20 0.31
CCR1 P32246 1/20 0.31
F2RL3 Q96RI0 1/20 0.30

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 0.89 LMNA (0.36) OPRM1KCNA3KMT2AMAPTALDH1A1
SCHEMBL6793129 0.85 MEN1 (0.39) KMT2AMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6794835 0.84 OPRD1 (0.35) OPRM1KCNA3MAPTALDH1A1KDM4E
SCHEMBL6798834 0.82 DRD2 (0.36) KCNA3MAPTKDM4E
SCHEMBL6788857 0.82 ALDH1A1 (0.36) OPRM1KCNA3KMT2AMAPTALOX15
SCHEMBL6790712 0.81 P2RY12 (0.34) KMT2AMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6798586 0.78 MAPT (0.34) KMT2AMAPTALOX15ALDH1A1KDM4E
SCHEMBL6792555 0.77 AURKA (0.47) KMT2AMAPTALOX15ALDH1A1KDM4E
SCHEMBL6789045 0.76 MAPT (0.34) KMT2AMAPTALOX15ALDH1A1KDM4E
SCHEMBL6793946 0.75 CCNA2 (0.37) KMT2AMAPTALDH1A1KDM4EMEN1

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 OPRM1 3609/4885KCNA3 1093/4885KMT2A 1257/4885

“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.