SCHEMBL5102259

SCHEMBL5102259

CCCc1nc2ncnn2c(N)c1CCCCCC#N

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 20/20 0.43

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
SCHEMBL5099029 0.92 MBOAT4 (0.44) MBOAT4
SCHEMBL3133063 0.88 GAA (0.45) MBOAT4
SCHEMBL5402153 0.88 GAA (0.45) MBOAT4
SCHEMBL3130141 0.88 GAA (0.45) MBOAT4
SCHEMBL303749 0.88 GAA (0.45) MBOAT4
SCHEMBL3876315 0.83 GAA (0.42) MBOAT4
SCHEMBL3868099 0.83 GAA (0.42) MBOAT4
SCHEMBL3871870 0.83 GAA (0.42) MBOAT4
SCHEMBL3122488 0.83 GAA (0.45) MBOAT4
SCHEMBL4921904 0.83 GAA (0.45) MBOAT4

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-20080119493-A1 5,6-Dialkyl-7-Aminotriazolopyrimidines, their Preparation and their Use for Controlling Harmful Fungi, and Compositions Comprising these Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-05-22 US claimed
EP-1725563-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-2005087770-A2 5,6-DIHYDROCARBYL-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-20080119493-A1 5,6-Dialkyl-7-Aminotriazolopyrimidines, their Preparation and their Use for Controlling Harmful Fungi, and Compositions Comprising these Compounds DPM1, ALKBH5, DERA MBOAT4 4864/4885

“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.