SCHEMBL4923797

SCHEMBL4923797

CC(=O)c1cn[c]c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP2A6 P11509 1/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 3/20 0.33
TSHR P16473 1/20 0.33
TPMT P51580 1/20 0.32
LMNA P02545 3/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPT P10636 4/20 0.31
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31

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
SCHEMBL3706563 0.83 HCAR2 (0.48) SMN1; SMN2KMT2ATSHRTPMTLMNA
SCHEMBL4930680 0.82 NNMT (0.42) MKNK1MKNK2SMN1; SMN2LMNACYP11B1
SCHEMBL6153027 0.79 CA5A (0.37) CA5AMKNK1MKNK2KMT2ARAB9A
SCHEMBL3718350 0.79 ATM (0.53) KMT2ACYP2A6RAB9ATSHRLMNA
SCHEMBL4928977 0.79 ALDH1A1 (0.36) SMN1; SMN2KMT2ALMNACYP1A2CYP3A4
SCHEMBL4926896 0.78 CA5A (0.35) CA5AMKNK1MKNK2SMN1; SMN2KMT2A
SCHEMBL4927453 0.78 CA5A (0.35) CA5AMKNK1MKNK2SMN1; SMN2KMT2A
SCHEMBL4927199 0.76 CYP2C9 (0.54) SMN1; SMN2KMT2ARAB9ATSHRLMNA
SCHEMBL4925662 0.73 SMN1; SMN2 (0.35) SMN1; SMN2TSHRLMNACYP1A2CYP3A4
SCHEMBL1637909 0.70 CA5A (0.50) CA5ASMN1; SMN2KMT2ACYP2A6RAB9A

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 CA5A 1362/4885MKNK1 3163/4885MKNK2 2943/4885
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 CA5A 1680/4885MKNK1 3663/4885MKNK2 3463/4885

“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.