SCHEMBL4926529

SCHEMBL4926529

CNC(=O)c1[c]c(Cl)cnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.35
RAB9A P51151 2/20 0.33
CASP1 P29466 1/20 0.33
NPC1 O15118 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
NUDT1 P36639 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
ALPL P05186 1/20 0.30
SCN9A Q15858 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
SCHEMBL4928218 0.79 RAF1 (0.34) RAF1RAB9ANPC1MKNK1MKNK2
SCHEMBL4928650 0.79 USP7 (0.33)
SCHEMBL4922118 0.78 GAA (0.35) RAF1MKNK1MKNK2NUDT1HDAC2
SCHEMBL4926875 0.75 MKNK1 (0.36) MKNK1MKNK2ICAM1SELEVCAM1
SCHEMBL10387983 0.72 HDAC8 (0.39) RAF1RAB9ANPC1HDAC2HDAC8
SCHEMBL18192763 0.72 ALOX15 (0.36) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL14195446 0.68 RAF1 (0.42) RAF1RAB9ANPC1MKNK1MKNK2
SCHEMBL12470482 0.68 MKNK1 (0.40) MKNK1MKNK2CCNCCDK8NUDT1
SCHEMBL12471260 0.68 HCAR2 (0.34) MKNK1MKNK2HDAC2HDAC8HDAC6
SCHEMBL187365 0.67

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 RAF1 1303/4885RAB9A 1687/4885CASP1 131/4885
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 RAF1 980/4885RAB9A 3004/4885CASP1 90/4885

“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.