SCHEMBL179448

SCHEMBL179448

C[C@H](n1cnc2c(N)nc(N3CCOCC3)nc21)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.56
MTOR P42345 6/20 0.56
KMT2A Q03164 1/20 0.46
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PIK3R1 P27986 5/20 0.43
PIK3CD O00329 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC3 O15379 9/20 0.41
HDAC4 P56524 9/20 0.41
HDAC1 Q13547 9/20 0.41
HDAC7 Q8WUI4 9/20 0.41
HDAC2 Q92769 9/20 0.41
HDAC10 Q969S8 9/20 0.41

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
SCHEMBL179420 1.00 PIK3CA (0.56) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL179421 1.00 PIK3CA (0.56) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL19618136 0.90 PIK3CA (0.53) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL27408140 0.88 PIK3CA (0.58) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL9924586 0.88 PIK3CA (0.58) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL12187039 0.88 PIK3CA (0.58) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL5019512 0.88 PIK3CA (0.71) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL15679247 0.85 PIK3CA (0.58) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL19261367 0.84 PIK3CA (0.54) PIK3CAMTORKMT2ACDK1CCNB1
SCHEMBL244324 0.83 PIK3CA (0.56) PIK3CAMTORKMT2ACDK1CCNB1

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 55 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-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 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-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 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-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 (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 PIK3CA 1/4885MTOR 49/4885KMT2A 2988/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CA 3/4885MTOR 60/4885KMT2A 2628/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885KMT2A 3867/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD PIK3CA 1/4885MTOR 32/4885KMT2A 2734/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885MTOR 16/4885KMT2A 3819/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CA 3/4885MTOR 60/4885KMT2A 2628/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CA 1/4885MTOR 49/4885KMT2A 2988/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CA 1/4885MTOR 49/4885KMT2A 2988/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885KMT2A 3867/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 53/4885KMT2A 3668/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885KMT2A 3867/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIK3CA 1/4885MTOR 280/4885KMT2A 985/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIK3CA 1/4885MTOR 280/4885KMT2A 985/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885MTOR 30/4885KMT2A 3809/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885KMT2A 3867/4885

“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.