SCHEMBL6795358

SCHEMBL6795358

CCOC(=O)c1c2c(nn1CCCNCCc1ccc(Br)cc1)C1=C(CC2)NN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
TP53 P04637 1/20 0.32
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
IDE P14735 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6791964 0.83 KDM4E (0.35) ADORA3ADORA2AADORA1MAPTKDM4E
SCHEMBL6793102 0.82 ALDH1A1 (0.35) MAPTNPC1RAB9ASMN1; SMN2CHRM5
SCHEMBL6798586 0.81 MAPT (0.34) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6792054 0.81 ADORA3 (0.32) ADORA3ADORA2AADORA1MAPTNPC1
SCHEMBL6798838 0.80 ADORA1 (0.35) ADORA3ADORA2AADORA1MAPTNPC1
SCHEMBL6793133 0.79 KMT2A (0.40) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL6794842 0.78 OPRD1 (0.35) MAPTNPC1RAB9ASMN1; SMN2CHRM5
SCHEMBL1655699 0.76 CCNA2 (0.42) ADORA3ADORA2AADORA1MAPTNPC1
SCHEMBL6792562 0.71 AURKA (0.51) MAPTNPC1RAB9ACHRM5CHRM1
SCHEMBL6790820 0.70 CCNA2 (0.36) ADORA1MAPTTP53ALDH1A1KDM4E

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 ADORA3 2377/4885ADORA2A 1092/4885ADORA1 3050/4885

“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.