SCHEMBL6793511

SCHEMBL6793511

C=CCn1nc2c(c1C(N)=O)CCc1cnccc1-2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.33
CCNA2 P20248 7/20 0.33
CCNA1 P78396 7/20 0.33
AURKA O14965 4/20 0.33
PDPK1 O15530 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
HASPIN Q8TF76 1/20 0.30
PLK1 P53350 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL6787073 0.90 ALDH1A1 (0.32) SMN1; SMN2CHRM2CHRM1CHRM3KDM4E
SCHEMBL6791186 0.84 BRAF (0.36) CDK2CCNA2CCNA1
SCHEMBL6792432 0.77 ROCK2 (0.32)
SCHEMBL6792436 0.77 ROCK2 (0.32)
SCHEMBL6790926 0.76 CCNA2 (0.50) CDK2CCNA2CCNA1
SCHEMBL1655455 0.75 CDK2 (0.36) CDK2CCNA2CCNA1AURKAPDPK1
SCHEMBL6794954 0.74 MAPKAPK2 (0.39) CDK2CCNA2CCNA1AURKAPDPK1
Hydrochloric Acid SCHEMBL4257712 0.74 CDK2 (0.36) CDK2CCNA2CCNA1AURKAPDPK1
SCHEMBL6793189 0.74 CDK2 (0.35) CDK2CCNA2CCNA1AURKAPDPK1
SCHEMBL6793304 0.73 KDM4C (0.37) CDK2CCNA2CCNA1AURKAPLK1

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 29/4885CCNA2 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.