SCHEMBL19990097

SCHEMBL19990097

COC(=O)c1cc(-c2ccncc2)cc(Nc2ccnc3cccc(C)c23)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 3/20 0.44
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
TGFBR1 P36897 4/20 0.35
AXL P30530 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
NR4A2 P43354 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
SCHEMBL19990080 0.90 PIK3R2 (0.42) PIK3R2CYP46A1TGFBR1AXLABCB1
SCHEMBL19989784 0.81 PIK3R2 (0.41) PIK3R2ALDH1A1CYP46A1TGFBR1AXL
SCHEMBL19990088 0.81 PIK3R2 (0.38) PIK3R2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19988844 0.79 PIK3R2 (0.40) PIK3R2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19989758 0.79 PIK3R2 (0.43) PIK3R2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19989742 0.79 KDM4E (0.49) PIK3R2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19990083 0.78 PIK3R2 (0.44) PIK3R2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19990111 0.77 TGFBR1 (0.34) PIK3R2MEN1KMT2ATGFBR1LMNA
SCHEMBL19989873 0.75 SYK (0.38) PIK3R2
SCHEMBL19990101 0.75 PIK3R2 (0.45) PIK3R2ALDH1A1MEN1KMT2ALMNA

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 13/4885ALDH1A1 4716/4885SMN1; SMN2 1760/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885ALDH1A1 4716/4885SMN1; SMN2 1760/4885

“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.