SCHEMBL19989865

SCHEMBL19989865

COC(=O)c1cc(-c2ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)cc(Nc2ccnc3c(Cl)ccc(F)c23)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
PIK3R2 O00459 2/20 0.33
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ATR Q13535 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
SCHEMBL19989939 0.94 SYK (0.40) SYKPIK3R2ACVR1BTGFBR1ACVRL1
SCHEMBL19989873 0.87 SYK (0.38) SYKPIK3R2
SCHEMBL19989975 0.87 SYK (0.41) SYKPIK3R2ATR
SCHEMBL19989922 0.85 SYK (0.38) SYK
SCHEMBL19990083 0.85 PIK3R2 (0.44) PIK3R2TGFBR1
SCHEMBL19989800 0.83 PIK3R2 (0.36) PIK3R2TGFBR1
SCHEMBL19989874 0.82 SYK (0.38) SYKTGFBR1
SCHEMBL19989744 0.79 SYK (0.43) SYKATR
SCHEMBL19989853 0.79 SYK (0.34) SYKPIK3R2ATR
SCHEMBL19989784 0.78 PIK3R2 (0.41) PIK3R2TGFBR1

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 531/4885PIK3R2 13/4885ACVR1B 2123/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 SYK 531/4885PIK3R2 13/4885ACVR1B 2123/4885

“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.