SCHEMBL1421156

SCHEMBL1421156

Cc1cc(-c2cccc(C(F)(F)F)c2)c(O)nc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.45
L3MBTL3 Q96JM7 8/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
TRPV4 Q9HBA0 4/20 0.43
TACR2 P21452 1/20 0.41
TACR3 P29371 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
GRIN2B Q13224 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41

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
SCHEMBL1420712 0.90 IRAK4 (0.44) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1421257 0.90 IRAK4 (0.44) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1422960 0.90 L3MBTL3 (0.45) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1420845 0.90 IRAK4 (0.44) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1422418 0.89 IRAK4 (0.43) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1420577 0.89 NPY2R (0.46) L3MBTL3L3MBTL1ACACBACACATRPV4
SCHEMBL4411894 0.89 ACACB (0.42) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1421088 0.88 IRAK4 (0.45) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1421240 0.88 IRAK4 (0.43) IRAK4L3MBTL3L3MBTL1ACACBACACA
SCHEMBL4412298 0.88 CCR2 (0.42) IRAK4L3MBTL3L3MBTL1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US claimed
JP-2011524400-A 2011-09-01 JP claimed
EP-2297137-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2297137-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 IRAK4 261/4885L3MBTL3 2613/4885L3MBTL1 3453/4885

“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.