SCHEMBL6793648

SCHEMBL6793648

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNc1cccnc1)-c1ccncc1CC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.33
PDPK1 O15530 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
CCNA2 P20248 3/20 0.32
CCNA1 P78396 3/20 0.32
AURKA O14965 2/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
PLK1 P53350 1/20 0.32
ROCK2 O75116 4/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABL1 P00519 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CDK4 P11802 1/20 0.31
CCND3 P30281 1/20 0.31

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
SCHEMBL1656629 0.89 PLK1 (0.32) CDK2PDPK1CCNA2CCNA1AURKA
SCHEMBL6791640 0.88 ALDH1A1 (0.43) HTR2ACYP1A2CYP3A4RAB9A
Trifluoroacetic Acid SCHEMBL6793644 0.87 CDK2 (0.36) CDK2PDPK1TRPM8CCNA2CCNA1
SCHEMBL1655240 0.87 NAMPT (0.34) CDK2CCNA2CCNA1AURKAL3MBTL1
SCHEMBL4256088 0.87 HSP90AA1 (0.30)
SCHEMBL4265279 0.87 CDK2 (0.33) CDK2PDPK1CCNA2CCNA1AURKA
SCHEMBL6793563 0.87
SCHEMBL6800589 0.86 NAMPT (0.42) HTR2AROCK2CYP1A2CYP3A4CYP2C9
SCHEMBL1655698 0.86 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6791548 0.86 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1

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 CDK2 29/4885PDPK1 87/4885TRPM8 1498/4885

“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.