SCHEMBL4557739

SCHEMBL4557739

CCNc1ncc(C(N)=O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
FFAR2 O15552 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 4/20 0.42
TMPRSS15 P98073 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LCK P06239 1/20 0.40
NPC1 O15118 3/20 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
CDK5 Q00535 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL16113553 0.84 HCAR2 (0.52) MAPK14FFAR2SMN1; SMN2RAB9AKDM4E
SCHEMBL3129613 0.80 RAB9A (0.58) MAPK14FFAR2SMN1; SMN2RAB9AKDM4E
SCHEMBL29606406 0.80 MAPK14 (0.54) MAPK14FFAR2SMN1; SMN2RAB9ATMPRSS15
SCHEMBL23334312 0.79 CDC7 (0.54) MAPK14SMN1; SMN2RAB9ATMPRSS15ALDH1A1
SCHEMBL27848064 0.78 FYN (0.46) MAPK14FFAR2SIRT2CDK2
SCHEMBL14417494 0.76 NPC1 (0.71) MAPK14SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL19710761 0.76 MAPK14 (0.57) MAPK14FFAR2SMN1; SMN2RAB9AKDM4E
SCHEMBL27848060 0.75 HDAC3 (0.44) FFAR2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL893108 0.74 NPC1 (0.50) MAPK14SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL28794133 0.74 HDAC3 (0.46) SMN1; SMN2RAB9AKDM4ENPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081174-A1 Synergistic fungicidal compositions ISAGRO S.P.A. (IT) 2009-03-26 US claimed
EP-1890545-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2008-02-27 EP claimed
WO-2006128677-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2006-12-07 WO claimed
EP-1912506-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.p.A. (IT) 2008-04-23 EP disclosed
WO-2007017220-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.P.A. (IT) 2007-02-15 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-20090081174-A1 Synergistic fungicidal compositions PPM1F, PPM1A, PPM1G MAPK14 1311/4885FFAR2 3593/4885SIRT2 4596/4885

“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.