SCHEMBL2328065

SCHEMBL2328065

CC(=O)c1cc(Cn2ncc(NC(=O)OCc3ccccc3Cl)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BTK Q06187 3/20 0.40
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
THRB P10828 1/20 0.38
CACNA1H O95180 6/20 0.38
PTGER1 P34995 2/20 0.38
FPR2 P25090 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2327979 0.85 THRB (0.43) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2324912 0.84 BTK (0.41) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL1166022 0.82 ALDH1A1 (0.47) PTGDR2MEN1KMT2ABTKMAPT
SCHEMBL2324116 0.82 MEN1 (0.43) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2328733 0.81 MEN1 (0.43) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2332930 0.80 MEN1 (0.44) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2327099 0.80 PTGDR2 (0.45) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2333848 0.77 MEN1 (0.41) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2324786 0.74 FPR2 (0.41) PTGDR2MEN1PKMCASP3KMT2A
SCHEMBL2327426 0.72 MEN1 (0.39) PTGDR2MEN1PKMCASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US claimed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R PTGDR2 257/4885MEN1 3704/4885PKM 3678/4885

“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.