SCHEMBL2116477

SCHEMBL2116477

CC(=O)NC[C@H]1CCN(c2nc3c(Cl)cccc3cc2[C@H](C)Nc2ccnc3ccnn23)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 1/20 0.38
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ACACB O00763 7/20 0.35
POLB P06746 1/20 0.35
CREBBP Q92793 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAPK1 P28482 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PDE10A Q9Y233 2/20 0.33
RET P07949 2/20 0.33
ABL1 P00519 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
SCHEMBL2115750 0.84 PIK3CD (0.36) MAPK1PDE10A
SCHEMBL2114304 0.84 MALT1 (0.39) MAPK1PDE10A
SCHEMBL2115354 0.83 CNR2 (0.40)
SCHEMBL2115352 0.83 CNR2 (0.40)
SCHEMBL715570 0.82 CKS1B (0.39) DKK1CKS1BSKP1SKP2ACACB
SCHEMBL715569 0.82 CKS1B (0.39) DKK1CKS1BSKP1SKP2ACACB
SCHEMBL715571 0.82 CKS1B (0.39) DKK1CKS1BSKP1SKP2ACACB
SCHEMBL2113140 0.81 TNF (0.39) RETABL1
SCHEMBL2115716 0.81 PIK3CD (0.35)
SCHEMBL2117137 0.80 KCNN3 (0.37)

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
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 DKK1 1416/4885CKS1B 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.