SCHEMBL1704482

SCHEMBL1704482

CC(F)(F)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccc(F)cc4)o3)n2)o1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.34
IKBKB O14920 2/20 0.32
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
GRM2 Q14416 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
SCHEMBL1704326 0.93 IKBKB (0.36) IKBKBKDM4EALDH1A1
SCHEMBL1704477 0.90 FPR2 (0.35) FPR2KDM4EALDH1A1
SCHEMBL2329098 0.86 MAPK14 (0.34) MAPK14IKBKBKDM4EGRM2
SCHEMBL2131687 0.86 FPR2 (0.39) IKBKBFPR2KDM4E
SCHEMBL1704456 0.85 IKBKB (0.41) IKBKBFPR2
SCHEMBL1703783 0.84 LRRK2 (0.35) FPR2
SCHEMBL1704159 0.84 IKBKB (0.44) IKBKBFPR2KDM4EALDH1A1HPGD
SCHEMBL1703858 0.82 RAB9A (0.33) MAPK14IKBKBFPR2KDM4E
SCHEMBL2331664 0.80 MAPK14 (0.34) MAPK14IKBKB
SCHEMBL2332145 0.78 MMP1 (0.38) MAPK14IKBKBKDM4EALDH1A1HPGD

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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP claimed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 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 (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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 MAPK14 4246/4885IKBKB 4277/4885FPR2 217/4885

“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.