SCHEMBL19989744

SCHEMBL19989744

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ATR Q13535 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
NR3C2 P08235 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
USP30 Q70CQ3 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
PRMT1 Q99873 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CFTR P13569 2/20 0.30
AURKA O14965 1/20 0.30
RPS6KB1 P23443 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
SCHEMBL19989903 0.85 PRMT1 (0.33) SYKNR3C2MAPTALDH1A1PRMT1
SCHEMBL19990040 0.85 ATR (0.34) SYKATRAAK1NR3C2MEN1
SCHEMBL19989939 0.81 SYK (0.40) SYKCCNT1CDK9
SCHEMBL19990135 0.81 NR3C2 (0.30) NR3C2
SCHEMBL19989874 0.81 SYK (0.38) SYKAAK1CCNT1CDK9
SCHEMBL19989873 0.80 SYK (0.38) SYK
SCHEMBL19989922 0.80 SYK (0.38) SYKAURKARPS6KB1
SCHEMBL19990005 0.80 PIK3CB (0.45) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL19989865 0.79 SYK (0.41) SYKATR
SCHEMBL19989975 0.78 SYK (0.41) SYKATRMEN1MAPTKMT2A

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 SYK 531/4885ATR 376/4885AAK1 359/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 SYK 531/4885ATR 376/4885AAK1 359/4885

“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.