SCHEMBL6793594

SCHEMBL6793594

NCCCn1nc(C(N)=O)c2c1-c1[nH]ncc1CC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.54
CCNA2 P20248 17/20 0.54
CCNA1 P78396 17/20 0.54
PDPK1 O15530 1/20 0.52
AURKA O14965 2/20 0.41
PLK1 P53350 1/20 0.41
IKBKB O14920 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39

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
Hydrochloric Acid SCHEMBL6794484 0.90 CDK2 (0.45) CDK2CCNA2CCNA1PDPK1AURKA
Hydrochloric Acid SCHEMBL6792147 0.81 CCNA2 (0.78) CDK2CCNA2CCNA1IKBKB
Hydrochloric Acid SCHEMBL6794562 0.74 CDK2 (0.39) CDK2CCNA2CCNA1PDPK1AURKA
SCHEMBL6792712 0.73 CCNA2 (0.65) CDK2CCNA2CCNA1IKBKB
SCHEMBL9940449 0.72 CDK2 (0.64) CDK2CCNA2CCNA1PDPK1AURKA
SCHEMBL5229256 0.72 CCNA2 (0.78) CDK2CCNA2CCNA1IKBKB
Hydrochloric Acid SCHEMBL9940658 0.72 CDK2 (0.63) CDK2CCNA2CCNA1PDPK1AURKA
SCHEMBL6665468 0.71 CCNA2 (0.72) CDK2CCNA2CCNA1AURKAIKBKB
SCHEMBL5231954 0.70 CCNA2 (1.00) CDK2CCNA2CCNA1IKBKB
SCHEMBL9940634 0.70 CDK2 (0.63) CDK2CCNA2CCNA1PDPK1AURKA

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 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 CDK2 29/4885CCNA2 270/4885CCNA1 527/4885

“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.