SCHEMBL2118013

SCHEMBL2118013

CC(=O)N1CCN(c2nc3ccccc3cc2[C@H](C)Nc2ccnc3ccnn23)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.44
PIK3CD O00329 3/20 0.42
PDE10A Q9Y233 3/20 0.40
CYP2C9 P11712 2/20 0.40
ACHE P22303 2/20 0.39
KRAS P01116 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOS1 Q07889 1/20 0.39
KCNH2 Q12809 1/20 0.39
P2RX2 Q9UBL9 1/20 0.38
PIK3R1 P27986 1/20 0.38

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
SCHEMBL2118021 1.00 P2RX3 (0.44) P2RX3PIK3CDPDE10ACYP2C9ACHE
SCHEMBL2118050 0.89 KRAS (0.39) P2RX3CYP2C9ACHEKRASCYP1A2
SCHEMBL2118042 0.89 KRAS (0.39) P2RX3CYP2C9ACHEKRASCYP1A2
SCHEMBL2115352 0.86 CNR2 (0.40) P2RX3PIK3CDCYP2C9ACHEKRAS
SCHEMBL2115354 0.86 CNR2 (0.40) P2RX3PIK3CDCYP2C9ACHEKRAS
SCHEMBL2117482 0.84 KRAS (0.40) P2RX3CYP2C9KRASCYP1A2CYP2D6
SCHEMBL2117481 0.84 KRAS (0.40) P2RX3CYP2C9KRASCYP1A2CYP2D6
SCHEMBL2114702 0.82 P2RX3 (0.38) P2RX3PIK3CDCYP2C9KRASCYP1A2
SCHEMBL2114696 0.82 P2RX3 (0.38) P2RX3PIK3CDCYP2C9KRASCYP1A2
SCHEMBL2115716 0.78 PIK3CD (0.35) P2RX3PIK3CDPIK3R1

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 123/4885PIK3CD 6/4885PDE10A 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.