SCHEMBL19989874

SCHEMBL19989874

COC(=O)c1cc(-c2ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)cc(Nc2ccnc3cc(F)ccc23)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
GAK O14976 1/20 0.36
TGFBR1 P36897 7/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
MAP4K4 O95819 3/20 0.32
AAK1 Q2M2I8 4/20 0.32
ACVR1 Q04771 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL19989922 0.86 SYK (0.38) SYKMAP4K4CLK4
SCHEMBL19989873 0.86 SYK (0.38) SYK
SCHEMBL19989939 0.84 SYK (0.40) SYKTGFBR1CCNT1CDK9
SCHEMBL19989975 0.83 SYK (0.41) SYKMAP4K4CLK4
SCHEMBL19989865 0.82 SYK (0.41) SYKTGFBR1
SCHEMBL19989744 0.81 SYK (0.43) SYKCCNT1CDK9AAK1
SCHEMBL19990100 0.75 PIK3R2 (0.46) SYK
SCHEMBL19989853 0.74 SYK (0.34) SYKMAP4K4CLK4
SCHEMBL19989933 0.73 PIK3R2 (0.48) SYKAAK1
SCHEMBL19990120 0.72 SYK (0.33) SYKTGFBR1MAP4K4CLK4

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 531/4885GAK 440/4885TGFBR1 704/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 SYK 531/4885GAK 440/4885TGFBR1 704/4885

“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.