SCHEMBL19989253

SCHEMBL19989253

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3c(C#N)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PIK3R2 O00459 1/20 0.40
MAPK10 P53779 1/20 0.39
MAPT P10636 8/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2A1 P68400 1/20 0.37
STK3 Q13188 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19988986 0.89 MAPT (0.46) ALDH1A1PIK3R2MAPTTDP1LMNA
SCHEMBL19989075 0.88 MAPT (0.40) PIK3R2MAPTTDP1LMNAMAPK1
SCHEMBL19988989 0.88 PIK3R2 (0.41) PIK3R2MAPTSMN1; SMN2
SCHEMBL19989069 0.88 CLK2 (0.50) PIK3R2MAPK10MAPTTP53TDP1
SCHEMBL19989259 0.87 MAPT (0.43) ALDH1A1PIK3R2MAPK10MAPTTP53
SCHEMBL19989235 0.87 PIK3R2 (0.41) ALDH1A1PIK3R2MAPTTDP1LMNA
SCHEMBL19989437 0.85 MAPT (0.43) ALDH1A1MAPTTP53LMNAMEN1
SCHEMBL19988849 0.83 PIK3R2 (0.38) ALDH1A1PIK3R2MAPTTDP1LMNA
SCHEMBL19989016 0.82 PIK3R2 (0.41) PIK3R2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19988972 0.82 PIK3R2 (0.38) ALDH1A1PIK3R2MAPK10MAPTTDP1

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 ALDH1A1 4739/4885PIK3R2 18/4885MAPK10 311/4885

“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.