SCHEMBL2113484

SCHEMBL2113484

CC(=O)N1CCN(c2nc3cc(F)cc(F)c3cc2C(C)N)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.38
AKT1 P31749 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
PIK3CD O00329 1/20 0.37
CTSK P43235 1/20 0.36
GPR6 P46095 1/20 0.35
GRIA1 P42261 1/20 0.35
SMO Q99835 1/20 0.35
DCAF15 Q66K64 1/20 0.35
GPR174 Q9BXC1 1/20 0.35
GBA1 P04062 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
SCHEMBL2113480 1.00 NCF1 (0.38) NCF1AKT1ACHEBACE1AKT2
SCHEMBL2115753 0.83 AKT1 (0.41) NCF1AKT1PIK3CDGPR6
SCHEMBL2115704 0.77 NCF1 (0.49) NCF1PIK3CDSMOGBA1
SCHEMBL2115701 0.77 NCF1 (0.49) NCF1PIK3CDSMOGBA1
SCHEMBL2115290 0.76 PRKCH (0.37) GRIA1
SCHEMBL2115287 0.76 PRKCH (0.37) GRIA1
SCHEMBL2117481 0.76 KRAS (0.40) GPR6GRIA1
SCHEMBL2117482 0.76 KRAS (0.40) GPR6GRIA1
SCHEMBL2114935 0.75 SOS1 (0.38) AKT1ACHEBACE1AKT2AKT3
SCHEMBL2114937 0.75 SOS1 (0.38) AKT1ACHEBACE1AKT2AKT3

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 1 patent. 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 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 NCF1 2116/4885AKT1 290/4885ACHE 625/4885

“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.