SCHEMBL16628977

SCHEMBL16628977

C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CG P48736 20/20 1.00
PIK3R2 O00459 7/20 1.00
PIK3CA P42336 13/20 0.76
PIK3CB P42338 13/20 0.76

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
SCHEMBL17974748 0.91 PIK3CD (0.84) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16628970 0.91 PIK3CD (0.90) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16630449 0.90 PIK3CD (0.82) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16628965 0.90 PIK3CG (1.00) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16630042 0.90 PIK3CD (0.82) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16630196 0.90 PIK3CD (0.82) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16664230 0.90 PIK3CD (0.81) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16630741 0.90 PIK3CD (0.81) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL16664171 0.90 PIK3CD (0.81) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB
SCHEMBL19413078 0.89 PIK3CD (0.80) PIK3CDPIK3CGPIK3R2PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
WO-2015051241-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 (1 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-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3R2 35/4885

“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.