SCHEMBL179459

SCHEMBL179459

CCCNc1nc(N)ncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
NUDT1 P36639 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ULK1 O75385 2/20 0.44
APP P05067 1/20 0.43
STK17A Q9UEE5 1/20 0.41
CHEK1 O14757 7/20 0.40
TLR7 Q9NYK1 2/20 0.40
FLT3 P36888 1/20 0.40
TLR8 Q9NR97 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL29582290 0.87 NUDT1 (0.47) PTPN1NUDT1ULK1LRRK2
SCHEMBL28383303 0.84 STK17A (0.44) NUDT1L3MBTL1ULK1STK17ACHEK1
SCHEMBL22672960 0.83 STK17A (0.58) ULK1STK17ACHEK1FLT3
SCHEMBL30575075 0.82 NUDT1 (0.44) NUDT1L3MBTL1ULK1STK17ACHEK1
SCHEMBL31666529 0.82 CHEK1 (0.48) NUDT1L3MBTL1ULK1STK17ACHEK1
SCHEMBL30575109 0.80 NUDT1 (0.51) NUDT1ULK1CHEK1FLT3LRRK2
SCHEMBL18855178 0.80 NUDT1 (0.44) PTPN1NUDT1L3MBTL1ULK1STK17A
SCHEMBL25528049 0.79 ALDH1A1 (0.41) PTPN1ULK1STK17ACHEK1TLR7
SCHEMBL5025499 0.79 BCL6 (0.49) NUDT1L3MBTL1APPSTK17ATLR7
SCHEMBL4542044 0.78 ULK1 (0.49) PTPN1NUDT1ULK1FLT3LRRK2

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 69 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-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 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-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-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-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-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 (12 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 PTPN1 812/4885NUDT1 1258/4885L3MBTL1 2904/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PTPN1 571/4885NUDT1 791/4885L3MBTL1 4132/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PTPN1 710/4885NUDT1 2412/4885L3MBTL1 2853/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PTPN1 654/4885NUDT1 1283/4885L3MBTL1 2802/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PTPN1 571/4885NUDT1 791/4885L3MBTL1 4132/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PTPN1 571/4885NUDT1 791/4885L3MBTL1 4132/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PTPN1 654/4885NUDT1 1283/4885L3MBTL1 2802/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PTPN1 654/4885NUDT1 1283/4885L3MBTL1 2802/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PTPN1 435/4885NUDT1 1970/4885L3MBTL1 935/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PTPN1 375/4885NUDT1 1478/4885L3MBTL1 1115/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PTPN1 375/4885NUDT1 1478/4885L3MBTL1 1115/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PTPN1 654/4885NUDT1 1283/4885L3MBTL1 2802/4885

“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.