SCHEMBL19989875

SCHEMBL19989875

COC(=O)c1cc(-c2ccnc(F)c2F)cc(Nc2c(C)cnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
PIK3R2 O00459 2/20 0.37
CSF1R P07333 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL19989834 0.89 PIK3R2 (0.33) PIK3R2CSF1RMEN1MAPTKMT2A
SCHEMBL19989780 0.88 SMN1; SMN2 (0.38) NR1H2NR1H3PIK3R2MEN1KMT2A
SCHEMBL19989944 0.80 AURKB (0.35) PIK3R2CSF1RMEN1MAPTKMT2A
SCHEMBL19989837 0.79 PIK3R2 (0.48) NR1H2NR1H3PIK3R2CSF1RMEN1
SCHEMBL19989800 0.79 PIK3R2 (0.36) PIK3R2MEN1MAPTKMT2A
SCHEMBL19990052 0.77 TGFBR1 (0.34) PIK3R2MEN1MAPTKMT2A
SCHEMBL19988976 0.76 MAPT (0.45) NR1H2NR1H3PIK3R2MAPT
SCHEMBL19990111 0.75 TGFBR1 (0.34) PIK3R2MEN1CYP3A4MAPTKMT2A
SCHEMBL19989898 0.75 PIK3R2 (0.57) NR1H2NR1H3PIK3R2
SCHEMBL19989842 0.75 PIK3R2 (0.37) PIK3R2

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 NR1H2 3069/4885NR1H3 2669/4885PIK3R2 13/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 NR1H2 3069/4885NR1H3 2669/4885PIK3R2 13/4885

“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.