SCHEMBL1045191

SCHEMBL1045191

Cc1cnc(C)c(C(=O)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 2/20 0.41
GRM5 P41594 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL12343678 0.83 GRM5 (0.55) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL13506002 0.83 GRM5 (0.38) ALDH1A1GAAKMT2AGRM5HPGD
SCHEMBL3410271 0.80 GRM5 (0.45) HTTALDH1A1MAPTGAANPC1
SCHEMBL28349946 0.78 ALDH1A1 (0.50) HTTALDH1A1MAPTGAANPSR1
SCHEMBL1044208 0.78 HPGD (0.41) HTTALDH1A1MAPTNPSR1NPC1
SCHEMBL1044206 0.78 HPGD (0.41) HTTALDH1A1MAPTNPSR1NPC1
SCHEMBL2408636 0.77 KDM4E (0.40) ALDH1A1MAPTKMT2AGRM5HPGD
SCHEMBL11177962 0.75 HTT (0.58) HTTALDH1A1MAPTGAANPSR1
SCHEMBL28349953 0.74 ALDH1A1 (0.45) HTTALDH1A1NPC1RAB9AKMT2A
SCHEMBL28346484 0.74 ADORA1 (0.51) HTTALDH1A1MAPTNPSR1NPC1

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
CN-108101856-B Preparation method of acyl-substituted pyrazine compound HENAN AGRICULTURAL UNIVERSITY (CN) 2019-12-10 CN disclosed
CN-108101856-A Acyl group substitutes the preparation method of pyrazine compounds 河南农业大学 2018-06-01 CN disclosed
US-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-02-10 US disclosed
EP-2271641-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2009130193-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-10-29 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-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 HTT 70/4885ALDH1A1 2550/4885MAPT 3447/4885

“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.