SCHEMBL1827197

SCHEMBL1827197

Cc1nc(-n2ccnn2)ccc1C(=O)/C(=C\N(C)C)C(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.33
HCRTR2 O43614 14/20 0.33
KDM6B O15054 1/20 0.31
MAP3K5 Q99683 1/20 0.30
USP14 P54578 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
SCHEMBL1824268 1.00 HCRTR1 (0.33) HCRTR1HCRTR2KDM6BMAP3K5USP14
SCHEMBL1822534 0.81 LMNA (0.35) HCRTR1HCRTR2
SCHEMBL1822226 0.81 LMNA (0.35) HCRTR1HCRTR2
SCHEMBL1822223 0.81 LMNA (0.35) HCRTR1HCRTR2
SCHEMBL5163749 0.73 LMNA (0.40)
SCHEMBL8526439 0.69 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL8526441 0.69 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL28060968 0.69 NOTUM (0.36) HCRTR1HCRTR2MAP3K5USP14
SCHEMBL2401819 0.68 LMNA (0.33)
SCHEMBL1824608 0.68 LMNA (0.33)

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-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 EP 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK HCRTR1 313/4885HCRTR2 359/4885KDM6B 1561/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK HCRTR1 356/4885HCRTR2 344/4885KDM6B 1507/4885

“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.