SCHEMBL1422408

SCHEMBL1422408

Cc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)NC2CCNCC2)nc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
TRPV4 Q9HBA0 11/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
CALCA P06881 1/20 0.40
CASP6 P55212 1/20 0.40
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
PHGDH O43175 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMYD2 Q9NRG4 1/20 0.38

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
SCHEMBL1422216 0.90 ACACB (0.43) IRAK4TRPV4ACACBACACATACR2
SCHEMBL4408438 0.88 HDAC4 (0.45) IRAK4TRPV4PHGDH
SCHEMBL1422325 0.88 L3MBTL3 (0.49) IRAK4TRPV4ACACBACACATACR2
SCHEMBL1422412 0.86 IRAK4 (0.47) IRAK4TRPV4ACACBACACATACR2
SCHEMBL1422377 0.86 IRAK4 (0.45) IRAK4TRPV4ACACBACACACASP6
SCHEMBL1422960 0.85 L3MBTL3 (0.45) IRAK4TRPV4ACACBACACATACR2
SCHEMBL1422177 0.85 IRAK4 (0.44) IRAK4TRPV4ACACBACACACALCA
SCHEMBL1422418 0.84 IRAK4 (0.43) IRAK4TRPV4ACACBACACATACR2
SCHEMBL1421156 0.83 IRAK4 (0.45) IRAK4TRPV4ACACBACACATACR2
SCHEMBL1421257 0.82 IRAK4 (0.44) IRAK4TRPV4ACACBACACATACR2

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 9 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 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 261/4885TRPV4 181/4885ACACB 2462/4885

“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.