SCHEMBL19989869

SCHEMBL19989869

COC(=O)c1cc(-c2ccnc(C)c2)cc(Nc2ccnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 6/20 0.45
FTO Q9C0B1 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PSMD14 O00487 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPK3 P27361 1/20 0.34

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 0.91 PIK3R2 (0.43) PIK3R2FTOALDH1A1SMN1; SMN2KDM4E
SCHEMBL19989975 0.84 SYK (0.41) PIK3R2ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL19989780 0.84 SMN1; SMN2 (0.38) PIK3R2ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL19990101 0.83 PIK3R2 (0.45) PIK3R2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19989837 0.83 PIK3R2 (0.48) PIK3R2ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL19989821 0.80 SMN1; SMN2 (0.34) PIK3R2ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL19990088 0.79 PIK3R2 (0.38) PIK3R2FTOALDH1A1SMN1; SMN2KDM4E
SCHEMBL19989853 0.79 SYK (0.34) PIK3R2ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL19988989 0.78 PIK3R2 (0.41) PIK3R2SMN1; SMN2
SCHEMBL19990120 0.77 SYK (0.33) PIK3R2ALDH1A1SMN1; SMN2KDM4EHTT

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 13/4885FTO 4762/4885ALDH1A1 4716/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885FTO 4762/4885ALDH1A1 4716/4885

“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.