SCHEMBL19989800

SCHEMBL19989800

COC(=O)c1cc(-c2ccnc(F)c2F)cc(Nc2ccnc3c(Cl)ccc(F)c23)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 10/20 0.36
TGFBR1 P36897 1/20 0.34
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TNF P01375 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
ACLY P53396 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
SCHEMBL19990052 0.93 TGFBR1 (0.34) PIK3R2TGFBR1MEN1KMT2AALDH1A1
SCHEMBL19989842 0.93 PIK3R2 (0.37) PIK3R2TGFBR1HCRTR1HCRTR2ACLY
SCHEMBL19990083 0.87 PIK3R2 (0.44) PIK3R2TGFBR1MEN1KMT2AALDH1A1
SCHEMBL19989780 0.87 SMN1; SMN2 (0.38) PIK3R2TGFBR1MEN1KMT2AALDH1A1
SCHEMBL19990111 0.85 TGFBR1 (0.34) PIK3R2TGFBR1MEN1KMT2AMAPT
SCHEMBL19989944 0.83 AURKB (0.35) PIK3R2TGFBR1MEN1KMT2AALDH1A1
SCHEMBL19989865 0.83 SYK (0.41) PIK3R2TGFBR1
SCHEMBL19989934 0.81 PIK3R2 (0.35) PIK3R2TGFBR1HCRTR1HCRTR2
SCHEMBL19989784 0.80 PIK3R2 (0.41) PIK3R2TGFBR1ALDH1A1HCRTR1HCRTR2
SCHEMBL19990088 0.80 PIK3R2 (0.38) PIK3R2TGFBR1MEN1KMT2AALDH1A1

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 PIK3R2 13/4885TGFBR1 704/4885MEN1 1081/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885TGFBR1 704/4885MEN1 1081/4885

“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.