SCHEMBL16630093

SCHEMBL16630093

CC(=O)NCC#Cc1cccc2nc(C(C)NC(=O)c3nccnc3N)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.77
PIK3CG P48736 19/20 0.77
PIK3CA P42336 16/20 0.77
PIK3CB P42338 16/20 0.77
PIK3R2 O00459 4/20 0.60

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
SCHEMBL16630945 1.00 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16630641 1.00 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL24731259 0.91 PIK3CD (0.78) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16663085 0.91 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL24731255 0.91 PIK3CD (0.78) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16662811 0.91 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16663352 0.91 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16663359 0.90 PIK3CD (0.83) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16630114 0.89 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16630955 0.89 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
WO-2015143012-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS INFINITY PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
WO-2015051244-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO 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 (9 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 PIK3CD 6/4885PIK3CG 11/4885PIK3CA 1/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3CA 1/4885

“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.