SCHEMBL4086479

SCHEMBL4086479

CC(C)(C)C#Cc1cnn(-c2ccccc2C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
PARP1 P09874 4/20 0.35
CREBBP Q92793 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 1/20 0.34
PLK1 P53350 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
PARP3 Q9Y6F1 2/20 0.33
RIPK2 O43353 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PDK2 Q15119 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4083088 0.80 GAA (0.33) ACACBPTGES2KDM4EALDH1A1MAPT
SCHEMBL12365103 0.79 FLT3 (0.35) ACACBPTGES2KDM4EALDH1A1HPGD
SCHEMBL4080077 0.76 GRM5 (0.36) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL4631244 0.68 BCAT2 (0.56) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL28345611 0.68 NPC1 (0.39) NPC1PARP1CREBBPRAB9APLK1
SCHEMBL299870 0.65 HCRTR1 (0.48) NPC1PARP1KDM4EALDH1A1MAPT
SCHEMBL3544059 0.65 NPC1 (0.49) NPC1KDM4EALDH1A1MAPTHPGD
SCHEMBL5032025 0.62 NPC1 (0.42) NPC1PARP1RAB9AKDM4EALDH1A1
SCHEMBL5334861 0.62 NPC1 (0.51) NPC1PARP1RIPK2KDM4EALDH1A1
SCHEMBL31227600 0.62 NPC1 (0.51) NPC1PARP1RIPK2KDM4EALDH1A1

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 NPC1 2012/4885PARP1 1746/4885CREBBP 3323/4885

“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.