SCHEMBL19990101

SCHEMBL19990101

COC(=O)c1cc(-c2ccncc2)cc(Nc2cc(C)nc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 3/20 0.45
NR4A2 P43354 3/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
CD38 P28907 7/20 0.39
CYP3A4 P08684 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.37
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL19989758 0.89 PIK3R2 (0.43) PIK3R2MAPTGAAALDH1A1POLB
SCHEMBL19989742 0.86 KDM4E (0.49) PIK3R2TP53MAPTGAAPOLB
SCHEMBL19989869 0.83 PIK3R2 (0.45) PIK3R2ALDH1A1POLBKMT2AMEN1
SCHEMBL19989026 0.80 MAPT (0.40) PIK3R2NR4A2TP53MAPTPOLB
SCHEMBL19990088 0.79 PIK3R2 (0.38) PIK3R2NR4A2ALDH1A1POLBCYP3A4
SCHEMBL19989837 0.77 PIK3R2 (0.48) PIK3R2MAPTGAAALDH1A1POLB
SCHEMBL19990083 0.77 PIK3R2 (0.44) PIK3R2MAPTALDH1A1POLBCYP3A4
SCHEMBL19989975 0.76 SYK (0.41) PIK3R2MAPTGAAALDH1A1POLB
SCHEMBL19990097 0.75 PIK3R2 (0.44) PIK3R2NR4A2MAPTALDH1A1POLB
SCHEMBL19989780 0.75 SMN1; SMN2 (0.38) PIK3R2ALDH1A1POLBKMT2AMEN1

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 13/4885NR4A2 3004/4885TP53 795/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885NR4A2 3004/4885TP53 795/4885

“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.