SCHEMBL4921904

SCHEMBL4921904

CCCCCCc1c(CCCC)nc2ncnn2c1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MBOAT4 Q96T53 18/20 0.44
ATM Q13315 1/20 0.41

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
SCHEMBL3122488 1.00 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3871870 0.95 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL303749 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3876315 0.95 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3130141 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3133063 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3868099 0.95 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL5402153 0.95 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL174682 0.92 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3121971 0.92 GAA (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171657-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-07-17 US disclosed
EP-1856119-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092412-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 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-20080171657-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds ERG28, AGPS, MTAP GAA 2802/4885HTT 3858/4885SMN1; SMN2 3884/4885

“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.