SCHEMBL179434

SCHEMBL179434

CC(C)(C)Cn1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 1.00
PI4K2B Q8TCG2 5/20 1.00
PI4K2A Q9BTU6 5/20 1.00
PI4KB Q9UBF8 5/20 1.00
ADORA2A P29274 10/20 0.68
ADORA1 P30542 5/20 0.68
ADORA2B P29275 1/20 0.64
AHCY P23526 7/20 0.57

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
SCHEMBL22016921 0.86 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22198588 0.84 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20334048 0.82 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL1924594 0.81 ADORA2A (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6426539 0.81 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5180847 0.81 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL11222112 0.80 ADORA2A (0.80) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5180872 0.79 ADORA2A (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12925855 0.79 ADORA2A (0.71) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL16134183 0.79 CCNE1 (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A

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 57 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-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-06-22 US disclosed
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-06-22 US disclosed
WO-2022261030-A1 OLIGONUCLEOTIDE ANALOGUE MODULATORS OF ONCOGENES NEUBASE THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20200268794-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-08-27 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20200215111-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY FOR CANCER MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-07-09 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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 PI4KA 8/4885PI4K2B 30/4885PI4K2A 22/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PI4KA 35/4885PI4K2B 83/4885PI4K2A 66/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD PI4KA 8/4885PI4K2B 28/4885PI4K2A 24/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 14/4885PI4K2B 32/4885PI4K2A 26/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PI4KA 8/4885PI4K2B 30/4885PI4K2A 22/4885
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY HAVCR2, CD4, CCR1 PI4KA 1903/4885PI4K2B 2525/4885PI4K2A 2240/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PI4KA 10/4885PI4K2B 43/4885PI4K2A 30/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PI4KA 16/4885PI4K2B 67/4885PI4K2A 38/4885
US-20200268794-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY HAVCR2, CD4, CCR1 PI4KA 1903/4885PI4K2B 2525/4885PI4K2A 2240/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PI4KA 10/4885PI4K2B 43/4885PI4K2A 30/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PI4KA 12/4885PI4K2B 16/4885PI4K2A 19/4885
US-20200215111-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY FOR CANCER CD2, PBK, CD4 PI4KA 1808/4885PI4K2B 2394/4885PI4K2A 2268/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 9/4885PI4K2B 25/4885PI4K2A 26/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PI4KA 10/4885PI4K2B 43/4885PI4K2A 30/4885

“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.