SCHEMBL19989944

SCHEMBL19989944

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
CDK1 P06493 2/20 0.35
CSF1R P07333 2/20 0.35
CDK2 P24941 2/20 0.35
FLT4 P35916 2/20 0.35
CLK2 P49760 2/20 0.35
MAPK12 P53778 2/20 0.35
CSNK2A1 P68400 2/20 0.35
CDK5 Q00535 2/20 0.35
STK3 Q13188 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
PIM3 Q86V86 2/20 0.35
HIPK4 Q8NE63 2/20 0.35
HIPK2 Q9H2X6 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
AURKA O14965 2/20 0.35
CDC7 O00311 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL19989780 0.92 SMN1; SMN2 (0.38) MAP4K4CSNK2A1HIPK4CLK4PSMD14
SCHEMBL19989842 0.88 PIK3R2 (0.37) GSK3AGSK3BDHODHACLYPIK3R2
SCHEMBL19989834 0.87 PIK3R2 (0.33) CSF1RMAPK12DHODHKDM4EALDH1A1
SCHEMBL19990111 0.86 TGFBR1 (0.34) DHODHLMNAMAPTMEN1POLB
SCHEMBL19990052 0.85 TGFBR1 (0.34) MAPK1KDM4EALDH1A1MAPTMEN1
SCHEMBL19989800 0.83 PIK3R2 (0.36) MAPK1KDM4EALDH1A1MAPTMEN1
SCHEMBL19989922 0.82 SYK (0.38) AURKBPRKD3MAP4K4CDK1CSF1R
SCHEMBL19989837 0.82 PIK3R2 (0.48) AURKBPRKD3MAP4K4CDK1CSF1R
SCHEMBL19989875 0.80 NR1H2 (0.39) CSF1RMAPTMEN1KMT2APIK3R2
SCHEMBL19989075 0.78 MAPT (0.40) CLK2CSNK2A1STK3HIPK4CLK4

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 AURKB 159/4885PRKD3 121/4885MAP4K4 126/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 AURKB 159/4885PRKD3 121/4885MAP4K4 126/4885

“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.