SCHEMBL1703791

SCHEMBL1703791

CN(C)c1cccc(-c2oc(-c3nn(Cc4nc(C(C)(F)F)co4)nc3C(N)=O)nc2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 18/20 0.46
LRRK2 Q5S007 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32

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
SCHEMBL1704368 0.88 LRRK2 (0.34) FPR2LRRK2SLC16A3SLC16A1MCTS1
SCHEMBL2130110 0.87 FPR2 (0.41) FPR2
SCHEMBL1703783 0.84 LRRK2 (0.35) FPR2LRRK2SLC16A3SLC16A1MCTS1
SCHEMBL2327504 0.80 PTGER1 (0.38) LRRK2
SCHEMBL2327570 0.79 LRRK2 (0.36) LRRK2SLC16A3SLC16A1MCTS1
SCHEMBL2332003 0.79 FYN (0.39) LRRK2SLC16A3SLC16A1MCTS1
SCHEMBL1703850 0.77 FPR2 (0.42) FPR2
SCHEMBL1704592 0.77 FPR2 (0.37) FPR2LRRK2
SCHEMBL1704152 0.77 IKBKB (0.40) FPR2
SCHEMBL1703980 0.76 PTGER1 (0.35) FPR2

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 FPR2 217/4885LRRK2 3073/4885SLC16A3 2799/4885

“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.