SCHEMBL6794733

SCHEMBL6794733

CN(C)CCCN1CCN(CCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.34
MAPK3 P27361 2/20 0.34
MAPK1 P28482 2/20 0.34
PLK1 P53350 3/20 0.34
KDM4C Q9H3R0 1/20 0.34
NAMPT P43490 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
GSK3B P49841 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
KCNH2 Q12809 1/20 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
SCHEMBL6793396 0.91 NAMPT (0.36) NAMPTGSK3B
Trifluoroacetic Acid SCHEMBL6791165 0.89 PLK1 (0.36) BRAFMAPK3MAPK1PLK1KDM4C
SCHEMBL6787046 0.88 CDK2 (0.38) NAMPT
SCHEMBL6793766 0.88 CCNA2 (0.39) NAMPT
SCHEMBL1659385 0.82 CDK2 (0.34) BRAFMAPK3MAPK1PLK1NAMPT
Trifluoroacetic Acid SCHEMBL6796768 0.81 CCNC (0.32)
SCHEMBL6793304 0.81 KDM4C (0.37) PLK1KDM4C
Hydrochloric Acid SCHEMBL1658167 0.80 CDK2 (0.42) BRAFMAPK3MAPK1PLK1KDM4C
SCHEMBL6793189 0.80 CDK2 (0.35) BRAFMAPK3MAPK1PLK1
Trifluoroacetic Acid SCHEMBL6791881 0.80 CHRM2 (0.35) PLK1PLK3PLK2

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 BRAF 316/4885MAPK3 46/4885MAPK1 54/4885

“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.