SCHEMBL179488

SCHEMBL179488

CC(C)(C)c1cnn(CCO)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.36
PDK2 Q15119 14/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
NAMPT P43490 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL10203231 0.89 PDK2 (0.39) PDK2L3MBTL1HCRTR1HCRTR2
SCHEMBL19727089 0.84 L3MBTL1 (0.37) KITPDK2L3MBTL1PDK1PDK3
SCHEMBL23059339 0.84 L3MBTL1 (0.37) KITPDK2L3MBTL1PDK1PDK3
SCHEMBL22781872 0.82 PDK2 (0.43) KITPDK2PDK1PDK3
SCHEMBL10203203 0.82 L3MBTL1 (0.49) L3MBTL1HCRTR1HCRTR2KDM5BNAMPT
SCHEMBL27408426 0.82 TAAR1 (0.36) KITPDK2L3MBTL1PDK1PDK3
SCHEMBL21850521 0.81 FFAR1 (0.36) L3MBTL1HCRTR1HCRTR2
SCHEMBL19618190 0.81 L3MBTL1 (0.38) KITPDK2L3MBTL1PDK1PDK3
SCHEMBL21325494 0.81 CTSD (0.33) L3MBTL1HCRTR1HCRTR2
SCHEMBL16017537 0.81 HTR1D (0.34) L3MBTL1HCRTR1HCRTR2

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 114 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-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230159497-A1 CBP/EP300 INHIBITOR AND USE THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2023-05-25 US disclosed
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2023-05-23 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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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 (15 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 KIT 1203/4885PDK2 236/4885L3MBTL1 4132/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A KIT 1887/4885PDK2 2566/4885L3MBTL1 693/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA KIT 1059/4885PDK2 543/4885L3MBTL1 2853/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD KIT 1370/4885PDK2 249/4885L3MBTL1 3938/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KIT 1460/4885PDK2 188/4885L3MBTL1 4198/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B KIT 3923/4885PDK2 341/4885L3MBTL1 241/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A KIT 1887/4885PDK2 2566/4885L3MBTL1 693/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KIT 1203/4885PDK2 236/4885L3MBTL1 4132/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KIT 1392/4885PDK2 521/4885L3MBTL1 2802/4885
US-20230159497-A1 CBP/EP300 INHIBITOR AND USE THEREOF EP300, CREBBP, BPTF KIT 2853/4885PDK2 1978/4885L3MBTL1 1401/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KIT 2707/4885PDK2 440/4885L3MBTL1 2206/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KIT 588/4885PDK2 688/4885L3MBTL1 1115/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 KIT 669/4885PDK2 429/4885L3MBTL1 1996/4885
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof DDR2, DDR1, DOCK2 KIT 1475/4885PDK2 80/4885L3MBTL1 4742/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KIT 2596/4885PDK2 147/4885L3MBTL1 3557/4885

“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.