SCHEMBL2115271

SCHEMBL2115271

CC(=O)NC[C@H]1CCN(c2nc3c(Cl)cccc3cc2[C@H](C)N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
CREBBP Q92793 1/20 0.36
DKK1 O94907 1/20 0.36
CNR2 P34972 4/20 0.35
ABL1 P00519 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PPARA Q07869 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PDE10A Q9Y233 2/20 0.34
ACACB O00763 2/20 0.34
CHRM4 P08173 2/20 0.33

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
SCHEMBL715569 0.84 CKS1B (0.39) POLBCKS1BSKP1SKP2CREBBP
SCHEMBL715571 0.84 CKS1B (0.39) POLBCKS1BSKP1SKP2CREBBP
SCHEMBL715570 0.84 CKS1B (0.39) POLBCKS1BSKP1SKP2CREBBP
SCHEMBL2115276 0.82 CKS1B (0.37) POLBCKS1BSKP1SKP2CREBBP
SCHEMBL16666212 0.82 SUV39H2 (0.41) CKS1BSKP1SKP2ABL1PDCD1
SCHEMBL16666211 0.82 SUV39H2 (0.41) CKS1BSKP1SKP2ABL1PDCD1
SCHEMBL16666213 0.82 SUV39H2 (0.41) CKS1BSKP1SKP2ABL1PDCD1
SCHEMBL2114946 0.80 CCNT1 (0.37) PDCD1CD274
SCHEMBL15899855 0.80 CNR2 (0.39) CNR2
SCHEMBL15899849 0.80 CNR2 (0.39) CNR2

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA POLB 668/4885CKS1B 449/4885SKP1 313/4885

“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.