Sugi Predict

Sugi Predict / Compounds / SCHEMBL14649502

SCHEMBL14649502

SCHEMBL14649502

COc1ccc(CNc2nc(N[C@@H](C)c3cc4cccc(-c5cnc(OC)nc5)c4c(=O)n3-c3ccccc3)c3ncccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 0.42
▸ PIK3CD O00329 8/20 0.42
▸ PIK3CB P42338 3/20 0.42
▸ PIK3CA P42336 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PIK3R1 P27986 3/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PIK3R2 O00459 3/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK5 Q00535 1/20 0.36

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
SCHEMBL14649235 0.89 PIK3CG (0.42) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14649505 0.88 PIK3CD (0.49) PIK3CGPIK3CDPIK3CBPIK3CAALDH1A1
SCHEMBL14649536 0.87 PIK3CG (0.45) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14649521 0.86 PIK3CG (0.45) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14667073 0.85 PIK3CG (0.41) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL18074946 0.85 PIK3CG (0.46) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14649485 0.85 PIK3CG (0.46) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14649374 0.85 PIK3CG (0.41) PIK3CGPIK3CDPIK3CBPIK3CAALDH1A1
SCHEMBL14649373 0.83 PIK3CG (0.48) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL18075715 0.82 PIK3CG (0.45) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
EP-2734520-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-09-14 — — EP disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 — — US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 — — US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 — — 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 (2 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PIK3CD 2/4885PIK3CB 3/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PIK3CD 2/4885PIK3CB 3/4885

“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.