SCHEMBL6793513

SCHEMBL6793513

CCOC(=O)NC(=O)NCCCn1nc2c(c1C(=O)OC(=O)C(F)(F)F)CCc1cnccc1-2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK6 Q00534 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
ROCK2 O75116 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
SCHEMBL6792951 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL6793508 0.89 CDK4 (0.33) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6791548 0.88 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL1655698 0.85 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL6795268 0.85 NPC1 (0.38)
SCHEMBL6790796 0.85 KDM4E (0.31) HPGD
SCHEMBL6793127 0.84 ALDH1A1 (0.39) CYP2C9
SCHEMBL6800589 0.84 NAMPT (0.42) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL6792445 0.83
SCHEMBL6793563 0.83

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 CDK4 154/4885CCNA2 270/4885CDK2 29/4885

“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.