SCHEMBL2113490

SCHEMBL2113490

CC(=O)N1CCN(c2nc3c(C)cccc3cc2[C@H](C)Nc2ncnc3ccnn23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.47
P2RX3 P56373 2/20 0.38
CNR2 P34972 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KRAS P01116 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOS1 Q07889 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2113493 1.00 PIK3CD (0.47) PIK3CDP2RX3CNR2KDM4EALDH1A1
SCHEMBL2115003 0.91 CNR2 (0.43) PIK3CDP2RX3CNR2KDM4EALDH1A1
SCHEMBL2115000 0.91 CNR2 (0.43) PIK3CDP2RX3CNR2KDM4EALDH1A1
SCHEMBL2115722 0.89 TSHR (0.43) PIK3CDKDM4EALDH1A1
SCHEMBL2115725 0.89 TSHR (0.43) PIK3CDKDM4EALDH1A1
SCHEMBL2117642 0.86 PIK3CD (0.44) PIK3CDP2RX3KDM4EALDH1A1KRAS
SCHEMBL2117648 0.86 PIK3CD (0.44) PIK3CDP2RX3KDM4EALDH1A1KRAS
SCHEMBL2114957 0.86 PIK3CD (0.43) PIK3CDP2RX3KDM4EALDH1A1KRAS
SCHEMBL2114960 0.86 PIK3CD (0.43) PIK3CDP2RX3KDM4EALDH1A1KRAS
SCHEMBL2113258 0.85 PIK3CD (0.45) PIK3CDP2RX3KDM4EALDH1A1

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 6/4885P2RX3 123/4885CNR2 1676/4885

“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.