SCHEMBL9925938

SCHEMBL9925938

CCc1cnc(N(C)CC)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.35
GBA1 P04062 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
POLB P06746 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HCAR3 P49019 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL9925945 0.82 CKS1B (0.34) GBA1PIK3CAHCAR3
SCHEMBL9925952 0.80 GBA1 (0.48) AOC3GBA1HCAR3
SCHEMBL179289 0.78 AOC3 (0.35) AOC3GBA1PIK3CDPIK3CAPIK3CB
SCHEMBL830188 0.78 NOS3 (0.33) GBA1POLB
SCHEMBL12693739 0.77 DGAT1 (0.36) POLBHCAR3
SCHEMBL12186836 0.77 AOC3 (0.34) AOC3GBA1PIK3CDPIK3CAPIK3CB
SCHEMBL21769321 0.77 PIK3CD (0.39) AOC3GBA1PIK3CDPIK3CAPIK3CB
SCHEMBL179514 0.74 AOC3 (0.33) AOC3GBA1PIK3CDPIK3CAPIK3CB
SCHEMBL9924593 0.74 TRPV1 (0.36) AOC3GBA1PIK3CDPIK3CAPIK3CB
SCHEMBL24721127 0.73 POLB (0.33) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (2 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-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A AOC3 2154/4885GBA1 856/4885PIK3CD 7/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB AOC3 4440/4885GBA1 3052/4885PIK3CD 4/4885

“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.