SCHEMBL12123331

SCHEMBL12123331

Cn1nc(-c2ccc(N=O)cc2)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 1/20 0.62
▸ NUDT5 Q9UKK9 1/20 0.62
▸ PIK3CD O00329 14/20 0.60
▸ PIK3CA P42336 14/20 0.60
▸ PIK3CB P42338 14/20 0.60
▸ PIK3CG P48736 14/20 0.60
▸ PRKDC P78527 14/20 0.60
▸ ABL1 P00519 14/20 0.60
▸ EGFR P00533 14/20 0.60
▸ SRC P12931 14/20 0.60
▸ MTOR P42345 13/20 0.60
▸ HCK P08631 13/20 0.60
▸ KDR P35968 13/20 0.60
▸ EPHB4 P54760 12/20 0.60
▸ PI4KB Q9UBF8 5/20 0.58
▸ AURKB Q96GD4 2/20 0.53
▸ AURKA O14965 1/20 0.53
▸ IKBKE Q14164 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ RIPK2 O43353 2/20 0.49

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 0.84 NUDT14 (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12366 0.84 NUDT14 (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13826003 0.83 SRC (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12192 0.82 PIK3CD (0.53) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL23917243 0.82 KDM4E (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL21079131 0.82 NUDT14 (0.66) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL130419 0.82 PIK3CD (0.70) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL16886112 0.82 PIK3CD (0.68) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL13019672 0.82 SRC (0.69) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL409367 0.81 PIK3CD (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — 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-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 NUDT14 166/4885NUDT5 454/4885PIK3CD 2956/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK NUDT14 1939/4885NUDT5 2913/4885PIK3CD 276/4885

“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.

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