SCHEMBL16677802

SCHEMBL16677802

Cc1ccccc1-n1c([C@@H](C)Nc2nc(N)nc3[nH]cnc23)nc2ccc(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.55
PIK3CG P48736 4/20 0.55
PIK3C3 Q8NEB9 1/20 0.55
PIK3R1 P27986 7/20 0.53
PIK3CB P42338 6/20 0.53
PIK3CA P42336 5/20 0.53
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41

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
SCHEMBL16677161 1.00 PIK3CD (0.55) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677818 1.00 PIK3CD (0.55) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL356142 0.90 PIK3CD (0.67) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677837 0.90 PIK3CD (0.46) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677164 0.90 PIK3CD (0.46) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677384 0.90 PIK3CD (0.46) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677408 0.88 PIK3R1 (0.48) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16678052 0.88 PIK3R1 (0.48) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677590 0.88 PIK3R1 (0.48) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CB
SCHEMBL16677816 0.86 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-08-25 US disclosed
US-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-08-25 US disclosed
WO-2015061204-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-30 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-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3C3 11/4885

“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.