SCHEMBL13952072

SCHEMBL13952072

CC(CO)O[C@H](CCO)n1cnc2c(NC(=O)c3ccc(CN)cc3)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ CCNB2 O95067 5/20 0.39
▸ CDK1 P06493 5/20 0.39
▸ CCNB1 P14635 5/20 0.39
▸ CCNB3 Q8WWL7 5/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ AHCY P23526 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL20052009 0.82 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3AHCY
SCHEMBL13952071 0.80 CDK5 (0.35) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL20052010 0.78 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13896532 0.76 AHCY (0.40) CCNB2CDK1CCNB1CCNB3AHCY
SCHEMBL16417876 0.73 CDK5 (0.35) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL20052944 0.73 AHCY (0.43) CCNB2CDK1CCNB1CCNB3AHCY
SCHEMBL13896531 0.72 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3AHCY
SCHEMBL15426097 0.72 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13443481 0.72 TDP1 (0.41) CCNB2CDK1CCNB1CCNB3AHCY
SCHEMBL17552180 0.70 AHCY (0.39) CDK5CDK5R1CCNB2CDK1CCNB1

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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2009-02-26 — — 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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC CDK5 2371/4885CDK5R1 2061/4885CCNB2 2215/4885

“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.

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