SCHEMBL2113556

SCHEMBL2113556

CCC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2C(C)Nc2ccnc3ccnn23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.35
OPRK1 P41145 7/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR6 P46095 2/20 0.33
AKT1 P31749 1/20 0.33
PIK3CD O00329 2/20 0.32
LRRK2 Q5S007 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
PIK3R1 P27986 1/20 0.32
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2113554 1.00 P2RX3 (0.35) P2RX3OPRK1MEN1KMT2AGPR6
SCHEMBL2114025 0.92 PIK3CD (0.38) P2RX3OPRK1MEN1KMT2AAKT1
SCHEMBL2114696 0.91 P2RX3 (0.38) P2RX3OPRK1AKT1PIK3CD
SCHEMBL2114702 0.91 P2RX3 (0.38) P2RX3OPRK1AKT1PIK3CD
SCHEMBL2114085 0.91 OPRK1 (0.34) P2RX3OPRK1MEN1KMT2AAKT1
SCHEMBL2113546 0.90 KCNH2 (0.37) P2RX3OPRK1LMNAMAPT
SCHEMBL2113549 0.90 KCNH2 (0.37) P2RX3OPRK1LMNAMAPT
SCHEMBL2115362 0.90 OPRK1 (0.34) P2RX3OPRK1MEN1KMT2AAKT1
SCHEMBL2113805 0.90 P2RX3 (0.34) P2RX3OPRK1MEN1KMT2AAKT1
SCHEMBL2117046 0.89 TP53 (0.35) P2RX3OPRK1MEN1KMT2AAKT1

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 P2RX3 123/4885OPRK1 305/4885MEN1 3999/4885

“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.