SCHEMBL4920628

SCHEMBL4920628

CCCCCCC(C#N)C(O)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.48
CYP2D6 P10635 2/20 0.46
LMNA P02545 2/20 0.46
GMNN O75496 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CETP P11597 1/20 0.46
HTT P42858 1/20 0.46
UBE2N P61088 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
DNM1 Q05193 2/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL28398577 0.92 GPR84 (0.44) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL28395145 0.92 GPR84 (0.44) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL27641944 0.86 SPHK1 (0.45) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL3965971 0.85 TSHR (0.50) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL11028135 0.83 GPR84 (0.42) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL29000834 0.82 SPHK1 (0.45) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL28880908 0.81 SPHK1 (0.37) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL10987090 0.80 TSHR (0.46) SPHK1LMNAGPR84FFAR1DNM1
SCHEMBL28690288 0.78 SPHK1 (0.65) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL30787405 0.78 SPHK1 (0.65) SPHK1CYP2D6LMNAGMNNPOLB

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 SPHK1 2157/4885CYP2D6 160/4885LMNA 2519/4885

“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.