SCHEMBL3134098

SCHEMBL3134098

CCCCCCCC(C#N)C(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 2/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CA2 P00918 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FDPS P14324 3/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL3315104 1.00 GPR84 (0.42) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3124230 0.87 FFAR1 (0.42) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5102224 0.87 TSHR (0.37)
SCHEMBL4893257 0.85 CES2 (0.47) FFAR1FFAR4
SCHEMBL6835540 0.84 SLC6A3 (0.36) FDPS
SCHEMBL1890854 0.82 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1960267 0.82 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1961630 0.82 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1961371 0.82 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8629737 0.82 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487519-B2 5,6-Dialkyl-7-aminotriazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds BASF SE (DE) 2016-11-08 US disclosed
EP-1725561-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 disclosed
US-20080139581-A1 2-Substituted 7-Aminoazolopyrimidines, Processes For Their Preparation And Their Use For Controlling Harmful Fungi, And Compositions Comprising These Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-06-12 US disclosed
EP-1856122-A2 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
US-20070173408-A1 5,6-Dialkyl-7-aminotriazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds BASF SE (DE) 2007-07-26 US disclosed
EP-1725561-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 disclosed
WO-2006092428-A2 2-SUBSTITUTED 7-AMINO-AZOLOPYRIMIDINE, A METHOD FOR THE PRODUCTION AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO disclosed
WO-2005087773-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 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 (2 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-20070173408-A1 5,6-Dialkyl-7-aminotriazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds ERG28, DPM1, ATL3 GPR84 4205/4885FFAR1 3799/4885MAPT 1799/4885
US-20080139581-A1 2-Substituted 7-Aminoazolopyrimidines, Processes For Their Preparation And Their Use For Controlling Harmful Fungi, And Compositions Comprising These Compounds CBR3, CROCC, PRXL2A GPR84 3077/4885FFAR1 3438/4885MAPT 4637/4885

“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.