SCHEMBL19989796

SCHEMBL19989796

CCc1nc2c(C(=O)O)cc(-c3ccnc(NC(=O)OC(C)(C)C)c3)cc2n1-c1ccnc2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 11/20 0.48
AAK1 Q2M2I8 4/20 0.37
RIPK3 Q9Y572 1/20 0.36
CDK9 P50750 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 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
SCHEMBL19989923 0.92 PIK3R2 (0.47) PIK3R2
SCHEMBL19990066 0.86 PIK3R2 (0.51) PIK3R2IRAK4TGFBR1
SCHEMBL19990064 0.86 PIK3R2 (0.54) PIK3R2
SCHEMBL19990022 0.85 PIK3R2 (0.51) PIK3R2
SCHEMBL19989933 0.81 PIK3R2 (0.48) PIK3R2AAK1
SCHEMBL19989866 0.80 PIK3R2 (0.55) PIK3R2
SCHEMBL19990096 0.79 PIK3R2 (0.57) PIK3R2
SCHEMBL19989851 0.78 PIK3R2 (0.60) PIK3R2
SCHEMBL19989814 0.78 PIK3R2 (0.55) PIK3R2
SCHEMBL19989881 0.78 PIK3R2 (0.51) PIK3R2

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 13/4885AAK1 359/4885RIPK3 354/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885AAK1 359/4885RIPK3 354/4885

“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.