SCHEMBL17470171

SCHEMBL17470171

C[C@@H](Nc1c(N[C@H]2CCCC[C@@H]2N)c(=O)c1=O)C1=C(P(c2ccccc2)c2ccccc2)C=CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.34
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL17470133 0.87 KAT2B (0.36) KAT2B
SCHEMBL17470172 0.86 MAPKAPK2 (0.32)
SCHEMBL17470011 0.80
SCHEMBL17470136 0.77 MEN1 (0.36)
SCHEMBL17470007 0.77 MAPKAPK2 (0.35)
SCHEMBL17470051 0.75 PLK1 (0.33)
SCHEMBL17470005 0.75 PSEN1 (0.34)
SCHEMBL19286227 0.73 KAT2B (0.35) KAT2BCDK1CDK4CCNB1CCNA2
SCHEMBL17470194 0.73 CA2 (0.40)
SCHEMBL17470008 0.73 MAPKAPK2 (0.34) KAT2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 KAT2B 651/4885CDK1 1634/4885CDK4 1624/4885

“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.