SCHEMBL4932032

SCHEMBL4932032

O=[N+]([O-])c1ccc(-c2c(Cl)nc3ncnn3c2Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.39
PDE2A O00408 1/20 0.39
KMT2A Q03164 5/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 6/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 4/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 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
SCHEMBL5164156 0.81 HSD17B10 (0.40) ENPP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL4934367 0.81 ENPP1 (0.36) ENPP1PDE2AKMT2ALMNATDP1
SCHEMBL4934363 0.81 ENPP1 (0.36) ENPP1PDE2AKMT2ALMNATDP1
SCHEMBL4934538 0.78 ENPP1 (0.39) ENPP1PDE2AKMT2ALMNATDP1
SCHEMBL4821392 0.71 KMT2A (0.44) ENPP1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL3156019 0.69 MAPT (0.52) KMT2ALMNATDP1ALDH1A1CYP1A2
SCHEMBL8974165 0.68 NPC1 (0.53) KMT2ALMNATDP1ALDH1A1CYP1A2
SCHEMBL4827232 0.68 ENPP1 (0.38) ENPP1KMT2AALDH1A1HPGDMAPT
SCHEMBL6510195 0.68 MAPT (0.54) KMT2ALMNATDP1ALDH1A1CYP1A2
SCHEMBL27617094 0.66 RAB9A (0.56) KMT2ALMNAALDH1A1CYP1A2MAPT

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 ENPP1 842/4885PDE2A 2666/4885KMT2A 3561/4885

“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.