SCHEMBL6794493

SCHEMBL6794493

NC(=O)NCCCn1nc2c(c1C(=O)O)CCc1cnccc1-2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.36
PDPK1 O15530 1/20 0.36
NAMPT P43490 7/20 0.35
CCNA2 P20248 4/20 0.33
CCNA1 P78396 4/20 0.33
AURKA O14965 3/20 0.33
ROCK2 O75116 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TSHR P16473 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
Hydrochloric Acid SCHEMBL4263501 0.87 CYP3A4 (0.34) CDK2PDPK1NAMPTCCNA2CCNA1
SCHEMBL6793287 0.86 ROCK2 (0.36) CDK2PDPK1NAMPTCCNA2CCNA1
Hydrochloric Acid SCHEMBL1658167 0.85 CDK2 (0.42) CDK2PDPK1CCNA2CCNA1AURKA
SCHEMBL1659385 0.85 CDK2 (0.34) CDK2PDPK1NAMPTCCNA2CCNA1
SCHEMBL6792362 0.85 FES (0.42) CDK2NAMPTCCNA2CCNA1AURKA
Hydrochloric Acid SCHEMBL1658063 0.85 CDK2 (0.40) CDK2PDPK1CCNA2CCNA1AURKA
Hydrochloric Acid SCHEMBL6793413 0.84 CDK2 (0.32) CDK2PDPK1NAMPTCCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1655691 0.84 CDK2 (0.32) CDK2PDPK1NAMPTCCNA2CCNA1
Trifluoroacetic Acid SCHEMBL6795264 0.84 NPC1 (0.39) NAMPTROCK2TSHR
SCHEMBL1655455 0.84 CDK2 (0.36) CDK2PDPK1CCNA2CCNA1AURKA

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 87/4885NAMPT 658/4885

“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.