SCHEMBL2330210

SCHEMBL2330210

COc1ccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.51
▸ ULK1 O75385 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ ADORA2B P29275 1/20 0.41
▸ PIK3CA P42336 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CB P42338 3/20 0.41
▸ PIK3CG P48736 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCND3 P30281 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
SCHEMBL27843906 0.84 PIK3CA (0.53) TBK1ULK1ADORA2BPIK3CAMEN1
SCHEMBL27841039 0.82 TBK1 (0.47) TBK1ULK1EGFRFGFR1ADORA2B
SCHEMBL2327107 0.82 FGFR2 (0.56) TBK1EGFRPIK3CAMEN1KMT2A
SCHEMBL2399990 0.81 TBK1 (0.47) TBK1ULK1ADORA2BPIK3CAMEN1
SCHEMBL2327157 0.81 SMN1; SMN2 (0.50) EGFRMEN1KMT2AUSP2CCNB2
SCHEMBL2322576 0.81 EPHB4 (0.59) TBK1EGFRFGFR1PIK3CAPIK3CB
SCHEMBL27824876 0.80 TBK1 (0.47) TBK1ULK1ADORA2BPIK3CAMEN1
SCHEMBL27824872 0.78 FGFR3 (0.58) EGFRKMT2APIK3CGKDREPHB4
SCHEMBL2326760 0.78 CDK1 (0.51) TBK1EGFRFGFR1MEN1KMT2A
SCHEMBL2330481 0.78 KDR (0.46) CCNB2CDK1CDK4CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 — — CN claimed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — US claimed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 — — EP claimed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 — — WO claimed
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 — — CN disclosed
CN-102216287-A Fungicide heterocyclyl-triazinyl-amino derivatives BAYER CROPSCIENCE SA 2011-10-12 — — CN disclosed
US-20110237594-A1 FUNGICIDE HERETOCYCLYL-TRIAZINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-09-29 — — US disclosed
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
EP-2356104-A1 FUNGICIDE HETEROCYCLYL-TRIAZINYL-AMINO DERIVATIVES 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
WO-2010055078-A1 FUNGICIDE HETEROCYCLYL-TRIAZINYL-AMINO DERIVATIVES 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 (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-20110237594-A1 FUNGICIDE HERETOCYCLYL-TRIAZINYL-AMINO DERIVATIVES CYP4X1, RDX, PRXL2A TBK1 3526/4885ULK1 2372/4885EGFR 3350/4885
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO TBK1 4529/4885ULK1 2684/4885EGFR 4086/4885

“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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