SCHEMBL19989780

SCHEMBL19989780

COC(=O)c1cc(-c2ccnc(F)c2F)cc(Nc2ccnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3R2 O00459 4/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSNK2A1 P68400 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PSMD14 O00487 1/20 0.34
ARNT P27540 1/20 0.33
EPAS1 Q99814 1/20 0.33
TGFBR1 P36897 1/20 0.33
NR1H2 P55055 2/20 0.33

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
SCHEMBL19989944 0.92 AURKB (0.35) HTTPIK3R2KDM4EALDH1A1LMNA
SCHEMBL19989837 0.89 PIK3R2 (0.48) SMN1; SMN2HTTHSD17B10PIK3R2KDM4E
SCHEMBL19989875 0.88 NR1H2 (0.39) PIK3R2MEN1KMT2ANR1H2NR1H3
SCHEMBL19989800 0.87 PIK3R2 (0.36) PIK3R2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19989758 0.85 PIK3R2 (0.43) SMN1; SMN2HTTHSD17B10PIK3R2KDM4E
SCHEMBL19990052 0.85 TGFBR1 (0.34) PIK3R2KDM4EALDH1A1MEN1KMT2A
SCHEMBL20001559 0.85 SMN1; SMN2 (0.39) SMN1; SMN2HTTHSD17B10PIK3R2KDM4E
SCHEMBL19989834 0.84 PIK3R2 (0.33) PIK3R2KDM4EALDH1A1LMNAMEN1
SCHEMBL19989869 0.84 PIK3R2 (0.45) SMN1; SMN2HTTHSD17B10PIK3R2KDM4E
SCHEMBL19989842 0.83 PIK3R2 (0.37) PIK3R2TGFBR1

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 6 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-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
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057810-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 (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 SMN1; SMN2 1760/4885HTT 1615/4885HSD17B10 3775/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 SMN1; SMN2 1760/4885HTT 1615/4885HSD17B10 3775/4885

“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.