SCHEMBL19989842

SCHEMBL19989842

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 7/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TGFBR1 P36897 1/20 0.33
ACLY P53396 1/20 0.32
DHODH Q02127 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
ACVR1 Q04771 1/20 0.31
MYC P01106 2/20 0.30
MAX P61244 2/20 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
SCHEMBL19989800 0.93 PIK3R2 (0.36) PIK3R2HCRTR1HCRTR2TGFBR1ACLY
SCHEMBL19990052 0.93 TGFBR1 (0.34) PIK3R2HCRTR1HCRTR2TGFBR1ACLY
SCHEMBL19990111 0.88 TGFBR1 (0.34) PIK3R2TGFBR1ACLYDHODH
SCHEMBL19989944 0.88 AURKB (0.35) PIK3R2TGFBR1ACLYDHODHGSK3A
SCHEMBL19989934 0.87 PIK3R2 (0.35) PIK3R2HCRTR1HCRTR2TGFBR1GSK3A
SCHEMBL19989784 0.86 PIK3R2 (0.41) PIK3R2HCRTR1HCRTR2TGFBR1ACLY
SCHEMBL19989780 0.83 SMN1; SMN2 (0.38) PIK3R2TGFBR1
SCHEMBL19989939 0.81 SYK (0.40) PIK3R2HCRTR1HCRTR2TGFBR1
SCHEMBL19990083 0.80 PIK3R2 (0.44) PIK3R2TGFBR1
SCHEMBL19989759 0.79 CFTR (0.36) DHODH

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 13/4885HCRTR1 4002/4885HCRTR2 3803/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885HCRTR1 4002/4885HCRTR2 3803/4885

“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.