SCHEMBL14729968

SCHEMBL14729968

COc1cc(-c2cccc3cc([C@H](C)Nc4nc(N)ncc4C#N)n(-c4ccccc4)c(=O)c23)ccn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.54
PIK3R1 P27986 5/20 0.54
PIK3CG P48736 16/20 0.46
PIK3CB P42338 7/20 0.46
PIK3CA P42336 7/20 0.46
PIK3R2 O00459 2/20 0.42

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
SCHEMBL14730074 1.00 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL15888041 1.00 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729894 0.94 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL17029214 0.93 PIK3CD (0.52) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14730013 0.91 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729921 0.91 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729985 0.90 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729960 0.90 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14730030 0.90 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL17234968 0.90 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. 2016-01-28 US claimed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9481667-B2 Salts and solid forms of isoquinolinones and composition comprising and methods of using the same INFINITY PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9481667-B2 Salts and solid forms of isoquinolinones and composition comprising and methods of using the same INFINITY PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. 2016-01-28 US disclosed
WO-2015179369-A1 TREATMENT OF PULMONARY OR RESPIRATORY DISEASES BY INHALATION ADMINISTRATION OF PI3 KINASE INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
WO-2015168079-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2015-11-05 WO disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
WO-2014151386-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20140275135-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275135-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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 (5 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3R1 70/4885PIK3CG 14/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3R1 70/4885PIK3CG 14/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3R1 70/4885PIK3CG 14/4885
US-20140275135-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME PIK3CA, PIK3CD, JAK2 PIK3CD 2/4885PIK3R1 60/4885PIK3CG 4/4885
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME PIK3CA, PIK3CD, JAK2 PIK3CD 2/4885PIK3R1 60/4885PIK3CG 4/4885

“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.