SCHEMBL17413595

SCHEMBL17413595

COSc1c(C2CC2)ccc(C(=O)Nc2ncnn2C)c1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL17413643 0.89 GRM5 (0.32) PDK2GAAHTTKMT2APDCD1
SCHEMBL17413600 0.87 GAA (0.32) GAAHTTKMT2A
SCHEMBL17409864 0.85 GAA (0.34) GAAHTTKMT2AJAK1
SCHEMBL17413640 0.84 POLB (0.45) GAAHTTKMT2A
SCHEMBL17413599 0.83 POLB (0.36) GAAHTTKMT2A
SCHEMBL17413596 0.81 GAA (0.32) GAAHTTKMT2A
SCHEMBL17413625 0.79 KIF18A (0.34) PDK2GAAHTTKMT2AJAK2
SCHEMBL17413650 0.77 NPC1 (0.47) GAAHTT
SCHEMBL17409863 0.77 NPC1 (0.34) KMT2A
SCHEMBL17413649 0.76 NPC1 (0.32) GAAHTTKMT2A

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-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
US-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
EP-3160945-B1 HERBICIDAL ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-01-31 EP disclosed
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
WO-2016001073-A1 HERBICIDALLY ACTIVE ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 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-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides DDT, AADAC, AOX1 PDK2 703/4885PDK4 706/4885GAA 147/4885

“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.