SCHEMBL179514

SCHEMBL179514

CCN(C)c1cnc(C(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GBA1 P04062 1/20 0.32
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL27407374 0.87 POLB (0.30) POLB
SCHEMBL18855233 0.85 AOC3 (0.34) AOC3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL179535 0.82 GBA1 (0.44) AOC3GBA1
SCHEMBL18672449 0.82 AOC3 (0.30) AOC3
SCHEMBL179338 0.79 CKS1B (0.33)
SCHEMBL19726973 0.78 AOC3 (0.32) AOC3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL21769321 0.76 PIK3CD (0.39) AOC3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL22215313 0.75 GBA1 (0.31) GBA1
SCHEMBL22885782 0.74
SCHEMBL179289 0.74 AOC3 (0.35) AOC3PIK3CDPIK3CAPIK3CBPI4KA

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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 (13 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB AOC3 2839/4885PIK3CD 4/4885PIK3CA 1/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA AOC3 2995/4885PIK3CD 18/4885PIK3CA 3/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A AOC3 2154/4885PIK3CD 7/4885PIK3CA 1/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD AOC3 2911/4885PIK3CD 3/4885PIK3CA 1/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB AOC3 2743/4885PIK3CD 2/4885PIK3CA 1/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB AOC3 2743/4885PIK3CD 2/4885PIK3CA 1/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA AOC3 4190/4885PIK3CD 8/4885PIK3CA 1/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A AOC3 2522/4885PIK3CD 6/4885PIK3CA 1/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A AOC3 2154/4885PIK3CD 7/4885PIK3CA 1/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB AOC3 4168/4885PIK3CD 5/4885PIK3CA 1/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB AOC3 4440/4885PIK3CD 4/4885PIK3CA 1/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 AOC3 3371/4885PIK3CD 147/4885PIK3CA 48/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A AOC3 2154/4885PIK3CD 7/4885PIK3CA 1/4885

“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.