SCHEMBL19989903

SCHEMBL19989903

COC(=O)c1cc(-c2cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncn2)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
SYK P43405 1/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR3C2 P08235 1/20 0.30
GPR119 Q8TDV5 2/20 0.30
PDPK1 O15530 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 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
SCHEMBL19990135 0.87 NR3C2 (0.30) NR3C2
SCHEMBL19989744 0.85 SYK (0.43) PRMT1AURKARPS6KB1SYKMAPT
SCHEMBL19990040 0.83 ATR (0.34) PRMT1AURKARPS6KB1SYKMAPT
SCHEMBL19989853 0.77 SYK (0.34) AURKARPS6KB1SYKMAPTSMN1; SMN2
SCHEMBL30992737 0.70 PDPK1 (0.33) SYKGPR119PDPK1
SCHEMBL30992820 0.69 TRPV1 (0.35) SYKGPR119PDPK1
SCHEMBL29893949 0.68 NR3C2 (0.36) MAPTNR3C2LMNAALDH1A1
SCHEMBL19990011 0.68 ALDH1A1 (0.47) AURKAMAPTALDH1A1
SCHEMBL15274739 0.68 PDPK1 (0.40) SYKPDPK1ALDH1A1
SCHEMBL19989939 0.68 SYK (0.40) SYK

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 PRMT1 562/4885AURKA 135/4885RPS6KB1 73/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PRMT1 562/4885AURKA 135/4885RPS6KB1 73/4885

“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.