SCHEMBL3485564

SCHEMBL3485564

Nc1cn2cc(F)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.60
APP P05067 1/20 0.46
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
ALDH1A3 P47895 3/20 0.41
MAP3K5 Q99683 1/20 0.39
GRM5 P41594 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
BACE1 P56817 1/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL3406881 0.77 PIK3CG (0.62) PIK3CGAPPALDH1A3MAP3K5NPC1
SCHEMBL31732651 0.75 APP (0.50) PIK3CGAPPCYP11B1CYP11B2CLK1
SCHEMBL1303123 0.75 PIK3CG (1.00) PIK3CGAPPCLK1DYRK1AMAP3K5
SCHEMBL3138257 0.75 PIK3CG (0.60) PIK3CGAPPDYRK1APIK3CAMTOR
SCHEMBL3486359 0.75 PIK3CG (0.60) PIK3CGAPPCLK1DYRK1AALDH1A3
SCHEMBL14427902 0.75 CYP11B1 (0.57) APPCYP11B1CYP11B2CLK1DYRK1A
SCHEMBL755503 0.75 APP (0.46) PIK3CGAPPCYP11B1CYP11B2CLK1
SCHEMBL22529082 0.75 GRM5 (0.47) APPCYP11B1CYP11B2CLK1DYRK1A
SCHEMBL3486088 0.75 PIK3CG (0.55) PIK3CGNPC1RAB9ABACE1AHR
SCHEMBL1983592 0.74 APP (0.66) APPCYP11B1CYP11B2CLK1DYRK1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 PIK3CG 3281/4885APP 3418/4885CYP11B1 160/4885

“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.