SCHEMBL4934367

SCHEMBL4934367

CC(C)C(C)Nc1c(-c2ccc([N+](=O)[O-])cn2)c(Cl)nc2ncnn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.36
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 2/20 0.31
PANK3 Q9H999 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4934363 1.00 ENPP1 (0.36) ENPP1PDE2AALDH1A1MAPTKMT2A
SCHEMBL4932032 0.81 ENPP1 (0.39) ENPP1PDE2AALDH1A1MAPTKMT2A
SCHEMBL4933852 0.77 NPSR1 (0.39) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL4933864 0.77 NPSR1 (0.39) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL3608660 0.71 MAPK1 (0.37) ENPP1ALDH1A1KMT2AMEN1GAA
SCHEMBL23925412 0.70 ALDH1A1 (0.34) ENPP1ALDH1A1KMT2AMEN1GAA
SCHEMBL23925410 0.70 ALDH1A1 (0.34) ENPP1ALDH1A1KMT2AMEN1GAA
SCHEMBL4934538 0.69 ENPP1 (0.39) ENPP1PDE2AALDH1A1MAPTKMT2A
SCHEMBL5228359 0.69 LMNA (0.44) ENPP1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL5228352 0.69 LMNA (0.44) ENPP1ALDH1A1MAPTKMT2ARAB9A

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 2666/4885ALDH1A1 2419/4885

“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.