SCHEMBL6794919

SCHEMBL6794919

C=CCn1nc2c(c1C(=O)OCC)CCc1c-2cnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 2/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
GABRG2 P18507 3/20 0.32

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
SCHEMBL6791026 0.88 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EHSD17B10CDK4
SCHEMBL6792545 0.88 CDK4 (0.36) ALDH1A1HPGDKDM4EHSD17B10CDK4
SCHEMBL6789045 0.83 MAPT (0.34) ALDH1A1HPGDKDM4EHSD17B10CDK4
SCHEMBL6792969 0.81 ADORA3 (0.35) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6792068 0.79 MEN1 (0.36) ALDH1A1CDK4CCNA2CDK2CCND3
SCHEMBL6794842 0.78 OPRD1 (0.35) OPRD1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6793803 0.77 AURKA (0.51) ALDH1A1HPGDKDM4EHSD17B10CDK4
SCHEMBL6791186 0.76 BRAF (0.36) OPRD1CDK4CCNA2CDK2CCND3
SCHEMBL6794835 0.75 OPRD1 (0.35) OPRD1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6792323 0.74 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EHSD17B10CDK4

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 claimed

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 4449/4885HPGD 814/4885

“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.