SCHEMBL19989853

SCHEMBL19989853

COC(=O)c1cc(-c2cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncn2)cc(Nc2ccnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
PIK3R2 O00459 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HIPK4 Q8NE63 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ATR Q13535 1/20 0.30

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
SCHEMBL19989975 0.91 SYK (0.41) SYKPIK3R2SMN1; SMN2KDM4EALDH1A1
SCHEMBL19990120 0.90 SYK (0.33) SYKPIK3R2SMN1; SMN2KDM4EALDH1A1
SCHEMBL19989821 0.88 SMN1; SMN2 (0.34) SYKPIK3R2SMN1; SMN2KDM4EALDH1A1
SCHEMBL19989922 0.83 SYK (0.38) SYKAURKARPS6KB1GPR119MAP4K4
SCHEMBL19989758 0.80 PIK3R2 (0.43) PIK3R2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL19989865 0.79 SYK (0.41) SYKPIK3R2ATR
SCHEMBL19989869 0.79 PIK3R2 (0.45) PIK3R2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL19989780 0.78 SMN1; SMN2 (0.38) PIK3R2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL19989903 0.77 PRMT1 (0.33) SYKSMN1; SMN2ALDH1A1AURKARPS6KB1
SCHEMBL19989837 0.75 PIK3R2 (0.48) PIK3R2SMN1; SMN2KDM4EALDH1A1AURKA

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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-12 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 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 (2 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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT1 SYK 531/4885PIK3R2 13/4885SMN1; SMN2 1760/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 SYK 531/4885PIK3R2 13/4885SMN1; SMN2 1760/4885

“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.