SCHEMBL1138375

SCHEMBL1138375

Cn1cc(C(=O)NC2CC2c2ncc(Cl)cc2Cl)c(C(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
MAPK1 P28482 5/20 0.36
HTR3A P46098 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
TYK2 P29597 1/20 0.34
CRHR1 P34998 4/20 0.34
CRHR2 Q13324 1/20 0.33
KDM1A O60341 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL1138599 0.90 IRAK4 (0.40) ACACBIRAK4
SCHEMBL1138383 0.90 IRAK4 (0.40) ACACBIRAK4
SCHEMBL1138382 0.90 IRAK4 (0.40) ACACBIRAK4
SCHEMBL18335068 0.85 ACACB (0.37) ACACBMAPK1HTR3AIRAK4
SCHEMBL4597097 0.83 CYP11B1 (0.34) ACACBIRAK4CRHR1CYP11B1CYP11B2
SCHEMBL14957612 0.81 TLR2 (0.42) MAPK1KDM1A
SCHEMBL14685857 0.81 TLR2 (0.42) MAPK1KDM1A
SCHEMBL13510930 0.81 TLR2 (0.42) MAPK1KDM1A
SCHEMBL4487928 0.78 CYP11B1 (0.32) IRAK4CYP11B1CYP11B2
SCHEMBL16211916 0.77 SLC6A9 (0.41) IRAK4CYP11B1CYP11B2

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-8071629-B2 2-pyridinylcycloalkylcarboxamide derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2011-12-06 US disclosed
EP-1885712-B1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE AG (DE) 2011-02-23 EP disclosed
US-20090099234-A1 2-pyridinylcycloalkylcarboxamide derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2009-04-16 US disclosed
EP-1885712-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2008-02-13 EP disclosed
WO-2006122955-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2006-11-23 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-20090099234-A1 2-pyridinylcycloalkylcarboxamide derivatives as fungicides CYP1A2, CYP4F2, CYP4F12 ACACB 1242/4885MAPK1 3463/4885HTR3A 3565/4885

“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.