SCHEMBL4083088

SCHEMBL4083088

CC(C)(C)C#Cc1cnn(-c2ccccc2N)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
PTGES2 Q9H7Z7 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ADRA2C P18825 1/20 0.31
ACACB O00763 1/20 0.31
PTPN11 Q06124 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
CYP2D6 P10635 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL12365103 0.84 FLT3 (0.35) MEN1KMT2AKDM4EPTGES2ALDH1A1
SCHEMBL4086479 0.80 NPC1 (0.37) KDM4EPTGES2ALDH1A1MAPTACACB
SCHEMBL4080077 0.79 GRM5 (0.36) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1207015 0.67 L3MBTL1 (0.42) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL29383293 0.63 CYP3A4 (0.52) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1258715 0.63 CYP3A4 (0.52) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4631247 0.63 ALDH1A1 (0.48) GAAMEN1KMT2AKDM4EPTGES2
SCHEMBL562815 0.62 APP (0.55) MEN1KMT2AKDM4EPTGES2ALDH1A1
SCHEMBL14214072 0.62 BACE1 (0.39) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL19576801 0.61 CA2 (0.41) PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553798-B2 Heterocyclic carboxamides with microbiocidal activity SYNGENTA CROP PROTECTION, INC. (US) 2009-06-30 US disclosed
US-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity SYNGENTA CROP PROTECTION, INC. (US) 2008-06-05 US disclosed
EP-1758894-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY Syngeta Participations AG (CH) 2007-03-07 EP disclosed
WO-2005123722-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2005-12-29 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-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity MPO, FPR1, CD14 GAA 1216/4885MEN1 3036/4885KMT2A 1971/4885

“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.