SCHEMBL14729926

SCHEMBL14729926

C[C@H](Nc1nc(N)ncc1C#N)c1cc2cccc(Cl)c2c(=O)n1C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.59
PIK3R1 P27986 1/20 0.59
PIK3CG P48736 4/20 0.56
PIK3R2 O00459 11/20 0.49

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
SCHEMBL14729953 0.99 PIK3CD (0.58) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL24092843 0.97 PIK3CG (0.59) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL9884052 0.97 PIK3CG (0.59) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL14757581 0.89 PIK3CD (0.62) PIK3CDPIK3R1PIK3CG
SCHEMBL14730109 0.88 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL14730083 0.87 PIK3CD (0.46) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL9884050 0.86 PIK3CD (0.63) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL17235656 0.85 PIK3CD (0.72) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL17235092 0.85 PIK3CD (0.74) PIK3CDPIK3R1PIK3CGPIK3R2
SCHEMBL14718884 0.85 PIK3CD (0.74) PIK3CDPIK3R1PIK3CGPIK3R2

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 5/4885PIK3R1 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

“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.