SCHEMBL4928977

SCHEMBL4928977

Cc1[c]ncc(C(=O)N(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
BRD4 O60885 1/20 0.32
KMT2A Q03164 2/20 0.32
HSD11B1 P28845 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 1/20 0.31
ERN1 O75460 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MEN1 O00255 1/20 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
SCHEMBL3706966 0.80 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHTTLRRK2
SCHEMBL4925050 0.80 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL4923797 0.79 CA5A (0.37) SMN1; SMN2HPGDKMT2ACYP1A2CYP3A4
SCHEMBL3706563 0.79 HCAR2 (0.48) ALDH1A1SMN1; SMN2KDM4EALOX15HSD17B10
SCHEMBL4930680 0.77 NNMT (0.42) SMN1; SMN2LMNA
SCHEMBL3718350 0.74 ATM (0.53) ALDH1A1HPGDKDM4EKMT2ALMNA
SCHEMBL4187982 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDHTTLRRK2
SCHEMBL4927199 0.71 CYP2C9 (0.54) SMN1; SMN2HPGDHTTKMT2ACYP1A2
SCHEMBL12048998 0.69 HCAR2 (0.62) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL4925662 0.69 SMN1; SMN2 (0.35) SMN1; SMN2HTTKDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 (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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 ALDH1A1 1649/4885SMN1; SMN2 4364/4885HPGD 1947/4885
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 ALDH1A1 2419/4885SMN1; SMN2 4798/4885HPGD 896/4885

“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.