SCHEMBL1704456

SCHEMBL1704456

CC(F)(F)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4cccc(Cl)c4)o3)n2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
NR4A2 P43354 1/20 0.36
MDM2 Q00987 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FPR2 P25090 2/20 0.34
SLC9A1 P19634 1/20 0.34
PIN1 Q13526 1/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDR P35968 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
PTGER1 P34995 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
SCHEMBL1704477 0.91 FPR2 (0.35) NR4A2FPR2SLC9A1PIN1KDR
SCHEMBL2131687 0.91 FPR2 (0.39) IKBKBRXRARXRBRXRGNR4A2
SCHEMBL1704326 0.91 IKBKB (0.36) IKBKBRXRANR4A2PTGER1
SCHEMBL1703783 0.89 LRRK2 (0.35) FPR2SLC16A3SLC16A1MCTS1
SCHEMBL1704159 0.89 IKBKB (0.44) IKBKBRXRARXRBMEN1KMT2A
SCHEMBL2331266 0.87 IKBKB (0.45) IKBKBRXRARXRBRXRGNR4A2
SCHEMBL1704482 0.85 MAPK14 (0.34) IKBKBFPR2
SCHEMBL1704152 0.84 IKBKB (0.40) IKBKBRXRARXRBRXRGNR4A2
SCHEMBL2330747 0.81 IKBKB (0.44) IKBKBRXRARXRBRXRGNR4A2
SCHEMBL2329257 0.79 IKBKB (0.43) IKBKBRXRARXRBRXRGNR4A2

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 IKBKB 4277/4885RXRA 1958/4885RXRB 1705/4885

“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.