SCHEMBL179422

SCHEMBL179422

CC[C@H](Nc1nc(N)ncc1F)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.43
NUDT1 P36639 5/20 0.40
KDM4E B2RXH2 1/20 0.35
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.31
TLR8 Q9NR97 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
AURKB Q96GD4 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 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
SCHEMBL179474 1.00 BCL6 (0.43) BCL6NUDT1KDM4EALOX5APFEN1
SCHEMBL179460 1.00 BCL6 (0.43) BCL6NUDT1KDM4EALOX5APFEN1
SCHEMBL9885018 0.84 NUDT1 (0.55) NUDT1KDM4EL3MBTL1TLR8
SCHEMBL9884961 0.84 NUDT1 (0.55) NUDT1KDM4EL3MBTL1TLR8
SCHEMBL16015108 0.83 NUDT1 (0.41) NUDT1KDM4EL3MBTL1
SCHEMBL179470 0.83 NUDT1 (0.41) NUDT1KDM4EL3MBTL1
SCHEMBL179498 0.83 NUDT1 (0.41) NUDT1KDM4EL3MBTL1
SCHEMBL179496 0.82 BCL6 (0.43) BCL6NUDT1KDM4EL3MBTL1TLR8
SCHEMBL179450 0.82 BCL6 (0.43) BCL6NUDT1KDM4EL3MBTL1TLR8
SCHEMBL179465 0.82 BCL6 (0.43) BCL6NUDT1KDM4EL3MBTL1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-04 US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 BCL6 1841/4885NUDT1 1258/4885KDM4E 3950/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB BCL6 3047/4885NUDT1 791/4885KDM4E 4349/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA BCL6 1880/4885NUDT1 2412/4885KDM4E 2229/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A BCL6 3204/4885NUDT1 1283/4885KDM4E 4500/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA BCL6 1880/4885NUDT1 2412/4885KDM4E 2229/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB BCL6 3047/4885NUDT1 791/4885KDM4E 4349/4885
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 243/4885NUDT1 1478/4885KDM4E 1566/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A BCL6 3204/4885NUDT1 1283/4885KDM4E 4500/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 438/4885NUDT1 1970/4885KDM4E 1756/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 243/4885NUDT1 1478/4885KDM4E 1566/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 243/4885NUDT1 1478/4885KDM4E 1566/4885
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 243/4885NUDT1 1478/4885KDM4E 1566/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 243/4885NUDT1 1478/4885KDM4E 1566/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB BCL6 3047/4885NUDT1 791/4885KDM4E 4349/4885

“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.