SCHEMBL2115000

SCHEMBL2115000

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
PIK3CD O00329 3/20 0.38
P2RX3 P56373 6/20 0.38
KRAS P01116 4/20 0.35
SOS1 Q07889 2/20 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
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2115003 1.00 CNR2 (0.43) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2113490 0.91 PIK3CD (0.47) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2113493 0.91 PIK3CD (0.47) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2117053 0.88 PIK3CD (0.40) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2117048 0.88 PIK3CD (0.40) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2115354 0.88 CNR2 (0.40) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2115352 0.88 CNR2 (0.40) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2115958 0.87 CNR2 (0.37) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2115956 0.87 CNR2 (0.37) CNR2PIK3CDP2RX3KRASSOS1
SCHEMBL2113787 0.83 SOS1 (0.34) PIK3CDSOS1

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 CNR2 1676/4885PIK3CD 6/4885P2RX3 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.