SCHEMBL940736

SCHEMBL940736

CC(Sc1ncnc2[nH]cnc12)c1nc2c(c(Br)nn2C)c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.56
PIK3R1 P27986 11/20 0.38
PIK3CG P48736 9/20 0.38
PIK3CA P42336 8/20 0.38
PIK3CB P42338 8/20 0.38
PIK3C3 Q8NEB9 1/20 0.35
ALDH1A2 O94788 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ALDH1A3 P47895 3/20 0.34
ABCB11 O95342 1/20 0.34
TBXA2R P21731 1/20 0.34
HTR2A P28223 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL361016 0.79 PIK3CD (0.39) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL1704105 0.78 PIK3CD (0.58) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL12912408 0.77 PIK3CD (0.44) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL13506750 0.75 PIK3CD (0.40) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL938243 0.74 PIK3CD (0.61) PIK3CDPIK3R1ALDH1A2ALDH1A1ALDH1A3
SCHEMBL938576 0.72 PIK3CD (1.00) PIK3CDPIK3R1
SCHEMBL735172 0.70 PIK3CG (0.42) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL10330141 0.67 SMN1; SMN2 (0.38) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL3760208 0.64 GAA (0.36) ALDH1A1
SCHEMBL356167 0.63 PIK3CD (0.76) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA PIK3CD 1/4885PIK3R1 22/4885PIK3CG 4/4885

“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.