SCHEMBL21079131

SCHEMBL21079131

Bc1ccc(-c2nn(C)c3ncnc(N)c23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT14 O95848 1/20 0.66
NUDT5 Q9UKK9 1/20 0.66
PIK3CD O00329 13/20 0.64
PIK3CA P42336 13/20 0.64
PIK3CB P42338 13/20 0.64
PIK3CG P48736 13/20 0.64
PRKDC P78527 13/20 0.64
ABL1 P00519 13/20 0.64
SRC P12931 13/20 0.64
EGFR P00533 12/20 0.64
MTOR P42345 11/20 0.64
HCK P08631 11/20 0.64
KDR P35968 11/20 0.64
EPHB4 P54760 10/20 0.64
PI4KB Q9UBF8 3/20 0.62
AURKB Q96GD4 2/20 0.53
AURKA O14965 1/20 0.53
IKBKE Q14164 1/20 0.53
KDM4E B2RXH2 2/20 0.52
RIPK2 O43353 2/20 0.52

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
SCHEMBL30782445 0.88 NUDT14 (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12366 0.88 NUDT14 (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13826003 0.87 SRC (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL16886112 0.85 PIK3CD (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13019672 0.85 SRC (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL23917243 0.85 KDM4E (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL130419 0.85 PIK3CD (0.70) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL409367 0.85 PIK3CD (0.82) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL23917506 0.84 NUDT14 (0.64) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13826048 0.83 NUDT14 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807981-B2 Purinone derivative hydrochloride ONO PHARMACEUTICAL CO., LTD. (JP) 2020-10-20 US disclosed
US-20200048256-A1 PURINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2020-02-13 US disclosed
US-20190315748-A1 PURINONE DERIVATIVE HYDROCHLORIDE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-17 US disclosed
US-20190169192-A1 PURINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 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 (4 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-20190169192-A1 PURINONE DERIVATIVE BTK, KIT, SYK NUDT14 456/4885NUDT5 600/4885PIK3CD 195/4885
US-20200048256-A1 PURINONE DERIVATIVE BTK, KIT, SYK NUDT14 456/4885NUDT5 600/4885PIK3CD 195/4885
US-10807981-B2 Purinone derivative hydrochloride BTK, P2RY1, P2RY13 NUDT14 291/4885NUDT5 387/4885PIK3CD 433/4885
US-20190315748-A1 PURINONE DERIVATIVE HYDROCHLORIDE BTK, P2RY1, P2RY13 NUDT14 291/4885NUDT5 387/4885PIK3CD 433/4885

“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.