SCHEMBL13019377

SCHEMBL13019377

Cc1cc(C)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.75
ALDH1A1 P00352 10/20 0.75
GAA P10253 8/20 0.75
POLB P06746 5/20 0.75
MAPT P10636 4/20 0.75
GLA P06280 4/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
XBP1 P17861 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
KLK7 P49862 2/20 0.71
CASP1 P29466 4/20 0.67
CASP7 P55210 4/20 0.67
KMT2A Q03164 3/20 0.67
MAPK1 P28482 2/20 0.67
MEN1 O00255 1/20 0.67
HPGD P15428 7/20 0.64
AURKA O14965 1/20 0.64
PIM1 P11309 1/20 0.64
MAPKAPK2 P49137 1/20 0.64
PLK1 P53350 1/20 0.64

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
SCHEMBL4567509 0.87 KDM4E (0.73) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL2163413 0.86 KDM4E (0.71) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL2162680 0.86 KDM4E (1.00) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL12468226 0.86 KDM4E (0.76) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL2163751 0.83 KDM4E (0.76) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL2163357 0.83 KLK7 (1.00) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL29683890 0.80 MAPT (0.83) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL29721630 0.80 KLK7 (0.76) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL12324282 0.79 MAPT (0.67) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL14478949 0.79 KDM4E (0.75) KDM4EALDH1A1GAAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 KDM4E 3763/4885ALDH1A1 391/4885GAA 2283/4885

“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.