SCHEMBL1499253

SCHEMBL1499253

NC(=O)c1cn[c]c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.39
PARP1 P09874 2/20 0.38
HPGDS O60760 2/20 0.35
CYP11B2 P19099 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
SIRT4 Q9Y6E7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VNN1 O95497 1/20 0.33
PSMD14 O00487 1/20 0.33
STAMBP O95630 1/20 0.33
COPS5 Q92905 1/20 0.33
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 3/20 0.33

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
SCHEMBL3713189 0.82 HCAR2 (0.48) POLBMAPTTSHRHSD17B10
SCHEMBL4927453 0.80 CA5A (0.35) CYP11B2SMN1; SMN2MKNK1MKNK2CYP3A4
SCHEMBL4928715 0.80 SMN1; SMN2 (0.31) SMN1; SMN2POLB
SCHEMBL1035373 0.76 NNMT (0.39) NNMTPARP1HPGDSCYP11B2F7
SCHEMBL4930680 0.76 NNMT (0.42) NNMTPARP1HPGDSCYP11B2F7
SCHEMBL5032411 0.76 NNMT (0.36) NNMTPARP1F7F3SARM1
SCHEMBL4925050 0.76 ALDH1A1 (0.35) SMN1; SMN2POLBCYP3A4TSHRCYP2C19
SCHEMBL28840072 0.72 PARP1 (0.45) PARP1SMN1; SMN2MKNK1MKNK2POLB
SCHEMBL668466 0.69
SCHEMBL2714659 0.67 HCAR2 (0.67) PARP1HPGDSCYP11B2F7F3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US claimed
JP-2011506281-A 2011-03-03 JP claimed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP claimed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 US claimed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 US claimed
EP-2231605-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-09-29 EP claimed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO claimed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP disclosed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 US disclosed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 US disclosed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO disclosed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 NNMT 1529/4885PARP1 374/4885HPGDS 1837/4885
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 NNMT 102/4885PARP1 3284/4885HPGDS 1066/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS NNMT 245/4885PARP1 2132/4885HPGDS 2280/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 NNMT 4254/4885PARP1 2348/4885HPGDS 713/4885

“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.