SCHEMBL6791815

SCHEMBL6791815

CCC(CC)CNCCn1nc2c(c1C(=O)O)CCc1cnccc1-2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.32
ROCK2 O75116 1/20 0.31
AURKA O14965 2/20 0.30
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
CCNA1 P78396 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PLK1 P53350 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL6793222 0.93 CYP1A2 (0.31) NAMPTCDK2
Trifluoroacetic Acid SCHEMBL4257725 0.90 HPGD (0.32) CDK2ALDH1A1
Lithium Ion SCHEMBL6793215 0.85
SCHEMBL6793304 0.84 KDM4C (0.37) AURKACCNA2CDK2CCNA1PLK1
Hydrochloric Acid SCHEMBL6795179 0.83 NAMPT (0.33) NAMPTROCK2AURKACCNA2CDK2
Hydrochloric Acid SCHEMBL6798118 0.82
SCHEMBL4257728 0.81 HPGD (0.30) ALDH1A1
SCHEMBL6793189 0.81 CDK2 (0.35) ROCK2AURKACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL4263501 0.81 CYP3A4 (0.34) NAMPTROCK2AURKACCNA2CDK2
Hydrochloric Acid SCHEMBL6792528 0.80

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 2 patents. 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
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 NAMPT 658/4885ROCK2 317/4885AURKA 341/4885

“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.