SCHEMBL14726987

SCHEMBL14726987

C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(Cl)c2c(C(=O)NC2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 14/20 0.51
PIK3CD O00329 16/20 0.48
PIK3CG P48736 6/20 0.48
PIK3R1 P27986 3/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CB P42338 3/20 0.46

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
SCHEMBL14757801 0.91 PIK3CD (0.42) PIK3R2PIK3CDPIK3CG
SCHEMBL14730002 0.89 PIK3R2 (0.42) PIK3R2PIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL17235220 0.86 PIK3R2 (0.54) PIK3R2PIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL17235024 0.86 PIK3R2 (0.54) PIK3R2PIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL17235006 0.86 PIK3R2 (0.54) PIK3R2PIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14726975 0.86 PIK3CD (0.45) PIK3R2PIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL4569333 0.84 BTK (0.41) PIK3R2PIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL4569396 0.82 PIK3CD (0.45) PIK3R2PIK3CDPIK3CGPIK3R1
SCHEMBL4569400 0.82 PIK3R2 (0.47) PIK3R2PIK3CDPIK3CG
SCHEMBL4569427 0.79 CNR2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
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-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 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
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 (3 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 PIK3R2 91/4885PIK3CD 5/4885PIK3CG 14/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3R2 91/4885PIK3CD 5/4885PIK3CG 14/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3R2 91/4885PIK3CD 5/4885PIK3CG 14/4885

“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.