SCHEMBL13020443

SCHEMBL13020443

Cc1ncnc(C(C)(C)C)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
LRRK2 Q5S007 1/20 0.31
DHODH Q02127 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
SCHEMBL30751788 0.80 PIK3CG (0.38) KDM4EPIK3CGLRRK2
SCHEMBL179342 0.78 LRRK2 (0.44) KDM4ELRRK2
SCHEMBL13058597 0.76 SQOR (0.40)
SCHEMBL16476777 0.72
SCHEMBL1109104 0.71 KDM4E (0.39) KDM4EPIK3CGLRRK2
SCHEMBL21048252 0.71 PIK3CG (0.37) KDM4EPIK3CGLRRK2
SCHEMBL12186825 0.71 LRRK2 (0.47) KDM4ELRRK2
SCHEMBL6719246 0.71 PIK3CG (0.33) KDM4EPIK3CGLRRK2
SCHEMBL18195530 0.71 ALDH1A1 (0.37) KDM4EDHODH
SCHEMBL21719349 0.68

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 1 patent. 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

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 3763/4885PIK3CA 3768/4885MTOR 4287/4885

“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.