SCHEMBL2117053

SCHEMBL2117053

CC(=O)N1CCN(c2nc3c(Cl)cccc3cc2C(C)Nc2nc(N)nc3ccnn23)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.40
CNR2 P34972 1/20 0.38
P2RX3 P56373 5/20 0.34
KRAS P01116 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOS1 Q07889 1/20 0.33
KCNH2 Q12809 1/20 0.33
NCF1 P14598 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 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
SCHEMBL2117048 1.00 PIK3CD (0.40) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2115956 0.89 CNR2 (0.37) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2115958 0.89 CNR2 (0.37) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2115003 0.88 CNR2 (0.43) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2115000 0.88 CNR2 (0.43) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2115354 0.85 CNR2 (0.40) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2115352 0.85 CNR2 (0.40) PIK3CDCNR2P2RX3KRASCYP1A2
SCHEMBL2116086 0.83 PIK3CD (0.35) PIK3CDSOS1
SCHEMBL2116093 0.83 PIK3CD (0.35) PIK3CDSOS1
SCHEMBL714860 0.82 PIK3CD (0.42) PIK3CDCNR2P2RX3NCF1

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 PIK3CD 6/4885CNR2 1676/4885P2RX3 123/4885

“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.