SCHEMBL3868099

SCHEMBL3868099

CCCCCCCCCc1nc2ncnn2c(N)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MBOAT4 Q96T53 18/20 0.42
ATM Q13315 1/20 0.39

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
SCHEMBL3871870 1.00 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3876315 1.00 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL4921904 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3122488 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3133063 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3130141 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL303749 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL5402153 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3869997 0.92 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL302684 0.92 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501383-B2 Substituted [1,2,4]triazolo[1,5-a]pyrimidines and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US claimed
US-20070179061-A1 Aminotriazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds BASF AKTIENGESELLSCHAFT (DE) 2007-08-02 US claimed
EP-1725559-A2 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-2005087771-A2 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-20070179061-A1 Aminotriazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds DPM1, ERG28, AGPS GAA 1876/4885HTT 2705/4885SMN1; SMN2 4345/4885

“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.