SCHEMBL19989038

SCHEMBL19989038

CC(C)(C)OC(=O)c1cc(N2CCOCC2)c(F)c(Nc2ccnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 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
EGFR P00533 1/20 0.37
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL19988878 0.93 ALDH1A1 (0.42) PIK3R2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL19988967 0.89 MAPT (0.41) PIK3R2MAPTALDH1A1LMNACLK2
SCHEMBL19988982 0.81 PIK3R2 (0.41) PIK3R2MAPTALDH1A1HPGDGAA
SCHEMBL19988989 0.79 PIK3R2 (0.41) PIK3R2SMN1; SMN2MAPT
SCHEMBL19989074 0.76 PIK3R2 (0.64) PIK3R2
SCHEMBL19989495 0.72 SMN1; SMN2 (0.44) PIK3R2SMN1; SMN2MAPTLMNAPKM
SCHEMBL19989075 0.72 MAPT (0.40) PIK3R2SMN1; SMN2MAPTLMNACLK2
SCHEMBL19988862 0.72 PIK3R2 (0.64) PIK3R2
SCHEMBL19989069 0.72 CLK2 (0.50) PIK3R2MAPTLMNACLK2GSK3A
SCHEMBL19989032 0.71 PIK3R2 (0.42) PIK3R2MAPT

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 18/4885SMN1; SMN2 1259/4885MAPT 146/4885

“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.