SCHEMBL21048477

SCHEMBL21048477

Nc1ncnc2[nH]nc(-c3cccc(OCc4ccccc4)c3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.67
PIK3CA P42336 4/20 0.67
PIK3CB P42338 4/20 0.67
PIK3CG P48736 4/20 0.67
PRKDC P78527 4/20 0.67
IGF1R P08069 9/20 0.52
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
TTK P33981 1/20 0.50
PRMT5 O14744 1/20 0.48
INSR P06213 3/20 0.47
SRC P12931 3/20 0.47
ROCK2 O75116 2/20 0.47
LYN P07948 2/20 0.47
AURKA O14965 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL15613541 0.88 BTK (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20793881 0.87 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387716 0.85 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16783578 0.85 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19414398 0.84 MAP4K4 (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387451 0.84 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20793606 0.82 KDM4E (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL145785 0.82 SRC (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20093452 0.81 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20093445 0.81 EGFR (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP 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 (1 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-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 PIK3CD 12/4885PIK3CA 4/4885PIK3CB 21/4885

“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.