SCHEMBL2451213

SCHEMBL2451213

Cn1cnnc1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NSD3 Q9BZ95 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL19219072 0.96 L3MBTL1 (0.46) L3MBTL1MAPK9MAPK10GAAMEN1
SCHEMBL14020814 0.81 PTK2 (0.45) L3MBTL1MEN1KMT2ALMNAMAPT
SCHEMBL3658697 0.81 L3MBTL1 (0.59) L3MBTL1GAAKMT2ALMNAALDH1A1
SCHEMBL21408693 0.80 PCSK9 (0.37) L3MBTL1MAPK9MAPK10GAALMNA
SCHEMBL23291112 0.78 ALDH1A1 (0.44) L3MBTL1GAAMEN1KMT2ALMNA
SCHEMBL61170 0.78 ALDH1A1 (0.38) L3MBTL1GAALMNAALDH1A1SMN1; SMN2
SCHEMBL62239 0.78 ALDH1A1 (0.42) L3MBTL1GAALMNAALDH1A1HPGD
SCHEMBL8763523 0.78 HSD11B1 (0.45) GAAKMT2ALMNAALDH1A1HPGD
SCHEMBL21811859 0.77 CYP2A6 (0.50) L3MBTL1GAAMEN1KMT2ALMNA
SCHEMBL28660838 0.77 L3MBTL1 (0.46) L3MBTL1MAPK9MAPK10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224261-A1 CRYSTALLINE FORM OF 4-(5--4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE ASTRAZENECA AB (SE) 2011-09-15 US 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-20110224261-A1 CRYSTALLINE FORM OF 4-(5--4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE ALPI, PYGL, SI L3MBTL1 4822/4885MAPK9 4128/4885MAPK10 3976/4885

“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.