SCHEMBL1138599

SCHEMBL1138599

Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2c2ncc(Cl)cc2Cl)c(C(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.40
CHRM1 P11229 5/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1138382 1.00 IRAK4 (0.40) IRAK4CHRM1LMNATSHRTAS1R3
SCHEMBL1138383 1.00 IRAK4 (0.40) IRAK4CHRM1LMNATSHRTAS1R3
SCHEMBL1138375 0.90 ACACB (0.37) IRAK4ACACB
SCHEMBL4597097 0.79 CYP11B1 (0.34) IRAK4LMNASMN1; SMN2ACACB
SCHEMBL16211916 0.78 SLC6A9 (0.41) IRAK4LMNATAS1R3TAS1R1TAS1R2
SCHEMBL16211914 0.78 SLC6A9 (0.41) IRAK4LMNATAS1R3TAS1R1TAS1R2
SCHEMBL16212162 0.78 SLC6A9 (0.41) IRAK4LMNATAS1R3TAS1R1TAS1R2
SCHEMBL14957288 0.77 IRAK4 (0.43) IRAK4CHRM1
SCHEMBL18335068 0.77 ACACB (0.37) IRAK4ACACB
SCHEMBL2889710 0.76 HCRTR1 (0.49) IRAK4LMNA

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 IRAK4 3455/4885CHRM1 900/4885LMNA 2965/4885

“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.