SCHEMBL2327890

SCHEMBL2327890

COc1ccc(Nc2ncnc(-c3ccnc(C(=O)N4CCCCC4)c3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ TBK1 Q9UHD2 2/20 0.46
▸ GRM5 P41594 3/20 0.43
▸ EGFR P00533 7/20 0.42
▸ BTK Q06187 5/20 0.42
▸ ITK Q08881 3/20 0.42
▸ SRC P12931 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ MTOR P42345 2/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ SMG1 Q96Q15 1/20 0.40
▸ PIK3CA P42336 1/20 0.40

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
SCHEMBL2330210 0.77 TBK1 (0.51) TBK1EGFRSRCPIK3CA
SCHEMBL27843906 0.76 PIK3CA (0.53) TBK1SRCMTORPIK3CA
SCHEMBL2399990 0.74 TBK1 (0.47) TBK1SRCPIK3CA
SCHEMBL27841039 0.73 TBK1 (0.47) TBK1EGFRSRCPIK3CA
SCHEMBL13536585 0.71 JAK2 (0.60) HPGD
SCHEMBL27824876 0.71 TBK1 (0.47) TBK1SRCMTORPIK3CA
SCHEMBL992163 0.70 GRM5 (0.76) HPGDGRM5MTORPIK3CA
SCHEMBL990338 0.70 GRM5 (0.76) HPGDGRM5MTORPIK3CA
SCHEMBL22773723 0.69 GPR183 (0.62) HPGDGRM5
SCHEMBL27112164 0.67 TEK (0.51) TBK1EGFRBLKSYKPIK3CA

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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — US disclosed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 — — EP disclosed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 — — 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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO HPGD 3904/4885TBK1 4529/4885GRM5 2422/4885

“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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