SCHEMBL13729201

SCHEMBL13729201

Cc1nc(OC2CCC(C(C)C)CC2)c(Br)cc1N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.33
MBOAT4 Q96T53 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 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
SCHEMBL13729200 1.00 PIK3CA (0.33) PIK3CAMBOAT4RAF1BRAF
SCHEMBL13730615 1.00 PIK3CA (0.33) PIK3CAMBOAT4RAF1BRAF
SCHEMBL16234691 0.86 ENPP2 (0.31) MBOAT4
SCHEMBL16234695 0.86 ENPP2 (0.31) MBOAT4
SCHEMBL16233719 0.80 ENPP2 (0.31)
SCHEMBL16233714 0.80 ENPP2 (0.31)
SCHEMBL13729043 0.79 IRAK4 (0.32)
SCHEMBL13729463 0.79 IRAK4 (0.32)
SCHEMBL13729047 0.79 IRAK4 (0.32)
SCHEMBL16233421 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
CN-105230625-A Antifungal composition SYNGENTA PARTICIPATIONS AG 2016-01-13 CN disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
EP-2790508-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2014-10-22 EP disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 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 (2 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-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT PIK3CA 667/4885MBOAT4 3569/4885RAF1 2635/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT PIK3CA 667/4885MBOAT4 3569/4885RAF1 2635/4885

“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.