SCHEMBL1704159

SCHEMBL1704159

COc1cccc(-c2oc(-c3nn(Cc4ccc(C(C)(F)F)o4)nc3C(N)=O)nc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.44
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RIPK2 O43353 1/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 3/20 0.36
FPR2 P25090 2/20 0.36
LMNA P02545 2/20 0.35
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PIN1 Q13526 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2131687 0.90 FPR2 (0.39) IKBKBRXRARXRBRIPK2HSD17B10
SCHEMBL1704477 0.90 FPR2 (0.35) FPR2KDM4EPIN1ALDH1A1
SCHEMBL1704326 0.89 IKBKB (0.36) IKBKBRXRAHSD17B10ADORA2AKDM4E
SCHEMBL1704456 0.89 IKBKB (0.41) IKBKBRXRARXRBKMT2AFPR2
SCHEMBL2131068 0.88 IKBKB (0.43) IKBKBRXRARXRBRIPK2KMT2A
SCHEMBL1703783 0.87 LRRK2 (0.35) FPR2
SCHEMBL2327049 0.87 IKBKB (0.48) IKBKBRXRARXRBKMT2AHSD17B10
SCHEMBL1704018 0.84 IKBKB (0.43) IKBKBRXRARXRBRIPK2KMT2A
SCHEMBL1704482 0.84 MAPK14 (0.34) IKBKBFPR2KDM4EALDH1A1HPGD
SCHEMBL2327644 0.82 ADORA2A (0.39) IKBKBFPR2ADORA2AIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.