SCHEMBL10202139

SCHEMBL10202139

CC(C)(C)OC(=O)N1CCN(C(C)(C)c2cn3cc(Br)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 3/20 0.41
PIK3CA P42336 8/20 0.39
MTOR P42345 5/20 0.39
PIK3CG P48736 3/20 0.39
ATR Q13535 2/20 0.39
AURKB Q96GD4 1/20 0.39
PIK3R1 P27986 3/20 0.36
RECQL P46063 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GBA1 P04062 2/20 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
SCHEMBL10202140 0.88 PIK3CD (0.39) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL5553112 0.88 PIK3CA (0.39) PIK3CDPIK3CAMTORPIK3CGPIK3R1
SCHEMBL15603047 0.83 PIK3CA (0.57) PIK3CDPIK3CAMTORPIK3CGPIK3R1
SCHEMBL5560255 0.82 PIK3R1 (0.51) PIK3CDPIK3CAMTORPIK3CGPIK3R1
SCHEMBL5557327 0.81 PIK3R1 (0.45) PIK3CDPIK3CAMTORPIK3CGPIK3R1
SCHEMBL5558271 0.77 PIK3CA (0.36) PIK3CDPIK3CAMTORPIK3CGPIK3R1
Lithium Ion SCHEMBL30366606 0.75 GBA1 (0.40) SMN1; SMN2GPR119GBA1
SCHEMBL2405701 0.74 GBA1 (0.42) GBA1
SCHEMBL26071951 0.73 GBA1 (0.38) SMN1; SMN2GBA1
SCHEMBL31728435 0.71 USP2 (0.48) USP2SMN1; SMN2PIK3CDPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA USP2 3475/4885SMN1; SMN2 3221/4885PIK3CD 11/4885

“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.