SCHEMBL23917506

SCHEMBL23917506

Cn1nc(-c2ccncc2)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT14 O95848 1/20 0.64
NUDT5 Q9UKK9 1/20 0.64
PIK3CD O00329 12/20 0.63
PIK3CA P42336 12/20 0.63
PIK3CB P42338 12/20 0.63
PIK3CG P48736 12/20 0.63
PRKDC P78527 12/20 0.63
SRC P12931 13/20 0.61
ABL1 P00519 11/20 0.61
EGFR P00533 11/20 0.61
MTOR P42345 10/20 0.61
HCK P08631 9/20 0.61
EPHB4 P54760 9/20 0.61
KDR P35968 9/20 0.61
PI4KB Q9UBF8 2/20 0.60
RET P07949 3/20 0.52
AURKB Q96GD4 2/20 0.51
AURKA O14965 1/20 0.51
IKBKE Q14164 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL409367 0.86 PIK3CD (0.82) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12366 0.86 NUDT14 (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL30782445 0.86 NUDT14 (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13826003 0.85 SRC (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL16886112 0.84 PIK3CD (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13019672 0.84 SRC (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL23917243 0.84 KDM4E (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL130419 0.84 PIK3CD (0.70) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL21079131 0.84 NUDT14 (0.66) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL130618 0.83 PIK3CD (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB

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 NUDT14 1479/4885NUDT5 1329/4885PIK3CD 2/4885

“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.