SCHEMBL23917421

SCHEMBL23917421

Cn1nc(-c2ccc(Br)c(O)c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 1.00
▸ PIK3CA P42336 17/20 1.00
▸ PIK3CB P42338 17/20 1.00
▸ PIK3CG P48736 17/20 1.00
▸ PRKDC P78527 17/20 1.00
▸ ABL1 P00519 15/20 1.00
▸ EGFR P00533 15/20 1.00
▸ HCK P08631 15/20 1.00
▸ SRC P12931 15/20 1.00
▸ MTOR P42345 15/20 1.00
▸ EPHB4 P54760 15/20 1.00
▸ KDR P35968 14/20 1.00
▸ PI4KB Q9UBF8 7/20 0.76
▸ BACE1 P56817 1/20 0.73
▸ BTK Q06187 2/20 0.62
▸ ATR Q13535 2/20 0.62
▸ NUDT14 O95848 1/20 0.55
▸ NUDT5 Q9UKK9 1/20 0.55

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
SCHEMBL130637 0.88 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917212 0.87 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917200 0.86 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130466 0.85 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130500 0.85 PIK3CA (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29387520 0.84 ABL1 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4275166 0.83 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917270 0.83 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130418 0.82 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917422 0.82 PIK3CD (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 — — 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 (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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 6/4885PIK3CB 3/4885

“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.

Send feedback