SCHEMBL600970

SCHEMBL600970

COc1ccc2cc(F)c(=O)[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.50
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
BTK Q06187 1/20 0.35
JAK2 O60674 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP7 P55210 1/20 0.34
P2RX7 Q99572 4/20 0.34
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL4311659 0.78 CLK1 (0.48) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL10321486 0.77 CLK1 (0.47) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL10321662 0.77 KDM4E (0.52) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL586465 0.75 GRIN2D (0.40) ADORA2AADORA1SIRT2HPGDTSHR
SCHEMBL586544 0.74 CLK1 (0.49) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL13958735 0.74 CLK1 (0.57) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL23147961 0.71 CLK1 (0.50) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL18969594 0.71 CLK1 (0.50) CLK1ADORA2AADORA1SIRT2SIRT1
SCHEMBL23169999 0.71 CLK1 (0.50) CLK1SIRT2SIRT1MAPTNPC1
SCHEMBL29721903 0.71 CLK1 (0.50) CLK1ADORA2AADORA1SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed
US-8415375-B2 2-hydroxyethyl-1H-quinolin-2-one derivatives and their azaisosteric analogues with antibacterial activity ACTELION PHARMACEUTICALS LTD. (CH) 2013-04-09 US disclosed
US-8415375-B2 2-hydroxyethyl-1H-quinolin-2-one derivatives and their azaisosteric analogues with antibacterial activity ACTELION PHARMACEUTICALS LTD. (CH) 2013-04-09 US disclosed
US-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-16 US disclosed
US-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-16 US disclosed
WO-2010116337-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 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-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY NQO2, AZI2, Q6ZSR9 CLK1 4173/4885ADORA2A 3955/4885ADORA1 2500/4885

“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.