SCHEMBL3133046

SCHEMBL3133046

CCCCCCC(C)c1c(CCC)nc2ncnn2c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ADA P00813 4/20 0.34
PDE2A O00408 3/20 0.34
MBOAT4 Q96T53 3/20 0.34
CYP3A4 P08684 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3130914 0.95 SMN1; SMN2 (0.39) SMN1; SMN2GAAHTTMEN1KMT2A
SCHEMBL3130452 0.92 SMN1; SMN2 (0.39) SMN1; SMN2GAAHTTATMADA
SCHEMBL5225877 0.81 MBOAT4 (0.39) SMN1; SMN2GAAHTTMBOAT4
SCHEMBL3130141 0.79 GAA (0.45) SMN1; SMN2GAAHTTATMMBOAT4
SCHEMBL5402153 0.79 GAA (0.45) SMN1; SMN2GAAHTTATMMBOAT4
SCHEMBL3133063 0.79 GAA (0.45) SMN1; SMN2GAAHTTATMMBOAT4
SCHEMBL5225541 0.76 MBOAT4 (0.41) MBOAT4
SCHEMBL3876315 0.76 GAA (0.42) SMN1; SMN2GAAHTTATMMBOAT4
SCHEMBL3868099 0.76 GAA (0.42) SMN1; SMN2GAAHTTATMMBOAT4
SCHEMBL3871870 0.76 GAA (0.42) SMN1; SMN2GAAHTTATMMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725560-B1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-07-07 EP claimed
JP-2007527886-A 2007-10-04 JP claimed
US-20070167463-A1 5,6-Dialkyl-7-aminotriazolopyrimidines, method for their production, their use for controlling pathogenic fungi, and agents containing said compounds BASF AKTIENGESELLSCHAFT (DE) 2007-07-19 US claimed
EP-1725560-A1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP claimed
WO-2005087772-A1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO claimed

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-20070167463-A1 5,6-Dialkyl-7-aminotriazolopyrimidines, method for their production, their use for controlling pathogenic fungi, and agents containing said compounds DPM1, DCPS, DERA SMN1; SMN2 3848/4885GAA 1276/4885HTT 3275/4885

“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.