SCHEMBL19989205

SCHEMBL19989205

COC(=O)c1cc(N2CCOCC2)cc(Nc2cc(C)nc3c(C(F)(F)F)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3C2B O00750 8/20 0.43
PIK3CD O00329 4/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CB P42338 1/20 0.43
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK2A1 P68400 1/20 0.41
STK3 Q13188 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MTOR P42345 3/20 0.41
PIK3CG P48736 3/20 0.41
MAPT P10636 3/20 0.40

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
SCHEMBL19989026 0.91 MAPT (0.40) PIK3R2USP2TP53MAPK1HSD17B10
SCHEMBL19989069 0.89 CLK2 (0.50) PIK3R2USP2TP53MAPK1RECQL
SCHEMBL19989092 0.87 MAPT (0.52) USP2MAPK1HSD17B10MAPTCYP3A4
SCHEMBL19989431 0.85 PIK3R2 (0.41) PIK3R2USP2TP53MAPK1RECQL
SCHEMBL19989114 0.83 MAPT (0.42) PIK3R2USP2MAPK1HSD17B10MAPT
SCHEMBL19991577 0.82 SIRT6 (0.47) USP2MAPK1HSD17B10PIK3C2BMAPT
SCHEMBL19988986 0.82 MAPT (0.46) PIK3R2MAPK1CLK2GSK3AGSK3B
SCHEMBL19988941 0.82 PIK3R2 (0.40) PIK3R2MAPK1HSD17B10PIK3C2BPIK3CB
SCHEMBL19989075 0.82 MAPT (0.40) PIK3R2MAPK1CLK2GSK3AGSK3B
SCHEMBL19991570 0.81 MAPT (0.41) MAPK1HSD17B10MAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K PIK3R2 18/4885USP2 2040/4885TP53 734/4885

“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.