SCHEMBL2114304

SCHEMBL2114304

CNC(=O)C1CCN(c2nc3c(Cl)cccc3cc2[C@H](C)Nc2ccnc3ccnn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 13/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PDE10A Q9Y233 1/20 0.36
KCNN3 Q9UGI6 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2115354 0.86 CNR2 (0.40) KCNN3
SCHEMBL2115352 0.86 CNR2 (0.40) KCNN3
SCHEMBL2116484 0.86 OPRK1 (0.38) MALT1RXFP1PDE10ANPSR1PIK3CA
SCHEMBL2115716 0.84 PIK3CD (0.35) KCNN3
SCHEMBL2113140 0.84 TNF (0.39) KCNN3
SCHEMBL2117137 0.84 KCNN3 (0.37) KCNN3
SCHEMBL2116477 0.84 DKK1 (0.38) PDE10AMAPK1
SCHEMBL2115750 0.84 PIK3CD (0.36) PDE10AMAPK1
SCHEMBL2115574 0.83 RAD52 (0.38) KCNN3
SCHEMBL2112923 0.81 PIK3CD (0.36) KCNN3PIK3CA

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 MALT1 759/4885RXFP1 4075/4885PDE10A 1182/4885

“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.