SCHEMBL9924586

SCHEMBL9924586

CC(C)C(C)n1cnc2c(N)nc(N3CCOCC3)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.58
MTOR P42345 7/20 0.58
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
KMT2A Q03164 1/20 0.44
PIK3R1 P27986 5/20 0.44
PIK3CD O00329 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
JAK3 P52333 1/20 0.44
HDAC3 O15379 9/20 0.43
HDAC4 P56524 9/20 0.43
HDAC1 Q13547 9/20 0.43
HDAC7 Q8WUI4 9/20 0.43
HDAC2 Q92769 9/20 0.43
HDAC10 Q969S8 9/20 0.43

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
SCHEMBL12187039 1.00 PIK3CA (0.58) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL27408140 1.00 PIK3CA (0.58) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL5019512 0.90 PIK3CA (0.71) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL179421 0.88 PIK3CA (0.56) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL179448 0.88 PIK3CA (0.56) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL179420 0.88 PIK3CA (0.56) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL15679247 0.88 PIK3CA (0.58) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL19261367 0.86 PIK3CA (0.54) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL244324 0.85 PIK3CA (0.56) PIK3CAMTORCDK1CCNB1CCNE1
SCHEMBL4572146 0.85 PIK3CA (0.56) PIK3CAMTORCDK1CCNB1CCNE1

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 25 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-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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 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-9655892-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-05-23 US disclosed
US-9655892-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-05-23 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-9216982-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2015-12-22 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2014-11-20 US disclosed
US-20140343057-A1 TREATMENT OF LUPUS, FIBROTIC CONDITIONS, AND INFLAMMATORY MYOPATHIES AND OTHER DISORDERS USING PI3 KINASE INHIBITORS INFINITY PHARMACEUTICALS, INC. 2014-11-20 US disclosed
US-8828998-B2 Treatment of lupus, fibrotic conditions, and inflammatory myopathies and other disorders using PI3 kinase inhibitors INFINITY PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8785456-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE LLC (US) 2014-07-22 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-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (13 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-20140343057-A1 TREATMENT OF LUPUS, FIBROTIC CONDITIONS, AND INFLAMMATORY MYOPATHIES AND OTHER DISORDERS USING PI3 KINASE INHIBITORS MYLK2, SSB, MYLK PIK3CA 8/4885MTOR 30/4885CDK1 234/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885CDK1 110/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CA 3/4885MTOR 60/4885CDK1 69/4885
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIK3CA 1/4885MTOR 280/4885CDK1 88/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885CDK1 110/4885
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885CDK1 110/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CA 3/4885MTOR 60/4885CDK1 69/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885CDK1 110/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIK3CA 1/4885MTOR 280/4885CDK1 88/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIK3CA 1/4885MTOR 280/4885CDK1 88/4885
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIK3CA 1/4885MTOR 280/4885CDK1 88/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PIK3CA 1/4885MTOR 104/4885CDK1 110/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CA 1/4885MTOR 49/4885CDK1 221/4885

“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.