SCHEMBL3136783

SCHEMBL3136783

Nc1ncc(Br)nc1OC1CN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ HMOX1 P09601 1/20 0.33
▸ ACACB O00763 4/20 0.32
▸ PIK3CD O00329 3/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ CCNC P24863 2/20 0.30
▸ CDK8 P49336 2/20 0.30
▸ CDK19 Q9BWU1 2/20 0.30

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
SCHEMBL25381756 0.90 HMOX1 (0.42) HMOX1PIK3CDPIK3CA
SCHEMBL2317595 0.87 PTPN11 (0.39) EGFRJAK3BTKHMOX1PIK3CD
SCHEMBL2321924 0.86 IKBKB (0.37) ATRHMOX1PIK3CD
SCHEMBL3150805 0.85 ATR (0.46) ATRPIK3CDCCNCCDK8CDK19
SCHEMBL11905717 0.76 PIK3CD (0.54) PIK3CDPIK3CAPIK3CB
SCHEMBL1585498 0.76 PIK3CD (0.54) PIK3CDPIK3CAPIK3CB
SCHEMBL3141781 0.74 JAK3 (0.35) JAK3
SCHEMBL3137787 0.73 CHRM1 (0.37) —
SCHEMBL3141731 0.73 GPR119 (0.51) PIK3CD
SCHEMBL25029169 0.72 GRM5 (0.38) PIK3CDGRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 — — US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 — — EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 — — WO 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB ATR 400/4885EGFR 352/4885ERBB2 139/4885

“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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