SCHEMBL5091099

SCHEMBL5091099

CCc1nc2nc(C)nn2c(N)c1CCC(C)CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL373945 0.81 MBOAT4 (0.38)
SCHEMBL5095240 0.76 GCGR (0.36) ALDH1A1
SCHEMBL5091103 0.75 GCGR (0.35) ALDH1A1
SCHEMBL5091098 0.75 GCGR (0.35) ALDH1A1
SCHEMBL3124321 0.74 MBOAT4 (0.38)
SCHEMBL5593437 0.72 HSD17B10 (0.40) ALDH1A1
SCHEMBL5593532 0.70 L3MBTL1 (0.33) ALDH1A1
SCHEMBL5593508 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL303893 0.68 MBOAT4 (0.49)
SCHEMBL398247 0.66 TLR8 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds BASF AKTINGESELLSCHAFT (DE) 2008-08-28 US claimed
EP-1856118-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP claimed
WO-2006092411-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO claimed
US-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds BASF AKTINGESELLSCHAFT (DE) 2008-08-28 US disclosed
EP-1856118-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092411-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME 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-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds CBX7, ERG28, HDHD5 ALDH1A1 2241/4885

“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.