SCHEMBL2113761

SCHEMBL2113761

CC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2CNc2ncnc3ccnn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.43
CNR2 P34972 2/20 0.37
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ACHE P22303 2/20 0.34
OPRK1 P41145 2/20 0.33
GFER P55789 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2115419 0.88 PIK3CD (0.44) PIK3CDCNR2TGFBR1MAPK14ABCG2
SCHEMBL2114696 0.76 P2RX3 (0.38) PIK3CDCNR2ABCG2OPRK1
SCHEMBL2114702 0.76 P2RX3 (0.38) PIK3CDCNR2ABCG2OPRK1
SCHEMBL2116019 0.76 PIK3CD (0.46) PIK3CDCNR2ABCG2OPRK1GFER
SCHEMBL2113493 0.71 PIK3CD (0.47) PIK3CDCNR2KDM4E
SCHEMBL2113490 0.71 PIK3CD (0.47) PIK3CDCNR2KDM4E
SCHEMBL2114937 0.70 SOS1 (0.38) CNR2ABCG2ACHE
SCHEMBL2114935 0.70 SOS1 (0.38) CNR2ABCG2ACHE
SCHEMBL2116124 0.70 PIK3CD (0.45) PIK3CD
SCHEMBL2115000 0.69 CNR2 (0.43) PIK3CDCNR2KDM4E

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 1676/4885TGFBR1 888/4885

“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.