SCHEMBL14729886

SCHEMBL14729886

COc1cncc(-c2cccc3cc([C@H](C)Nc4nc(N)ncc4C#N)n(-c4cccc(F)c4)c(=O)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.49
PIK3CG P48736 8/20 0.49
PIK3CA P42336 5/20 0.49
PIK3R1 P27986 7/20 0.47
PIK3CB P42338 3/20 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
SCHEMBL14719228 0.94 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL14719230 0.94 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL17234969 0.94 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL14729947 0.91 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL14729888 0.91 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL14757696 0.91 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3R1
SCHEMBL14729884 0.89 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3R1
SCHEMBL17235424 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL17235518 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL17235598 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB

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 7 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-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
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 (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 PIK3CD 5/4885PIK3CG 14/4885PIK3CA 2/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3CA 2/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3CA 2/4885

“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.