SCHEMBL754019

SCHEMBL754019

Cc1ccccc1-n1c(CN)nc2cccc(F)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.70
PIK3CG P48736 4/20 0.50
PIK3CB P42338 2/20 0.49
PIK3R1 P27986 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
PDE4D Q08499 1/20 0.48
TP53 P04637 1/20 0.47
PIK3CA P42336 1/20 0.46

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
SCHEMBL755160 0.90 PIK3CD (0.81) PIK3CDPIK3CGPIK3CBPIK3R1KDM4E
SCHEMBL10296670 0.88 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3R1KDM4E
SCHEMBL754908 0.85 PIK3CG (0.57) PIK3CDPIK3CGKDM4EALDH1A1HPGD
SCHEMBL16596951 0.83 ALDH1A1 (0.63) PIK3CDPIK3CGALDH1A1TP53
SCHEMBL788931 0.82 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3R1KDM4E
SCHEMBL18896600 0.82 NPC1 (0.47) PIK3CDPIK3CGPIK3CBPIK3R1KDM4E
SCHEMBL16585042 0.81 PIK3CD (0.86) PIK3CDPIK3CGPIK3CBPIK3R1KDM4E
SCHEMBL9604076 0.79 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3R1KDM4E
SCHEMBL16591381 0.79 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3R1ALDH1A1
SCHEMBL18923549 0.79 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3R1ALDH1A1

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-8637533-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-28 US disclosed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US 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-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG PIK3CD 1/4885PIK3CG 3/4885PIK3CB 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.