SCHEMBL16180643

SCHEMBL16180643

N#Cc1cnc(O)c(-c2cccc(C=O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.41
DYRK2 Q92630 3/20 0.41
DYRK1B Q9Y463 3/20 0.41
DYRK3 O43781 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
AXL P30530 1/20 0.41
CDK8 P49336 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.36
BRD4 O60885 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL1940329 0.79 PTGDR2 (0.49) PTGDR2CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16180553 0.79 KDM1A (0.44) TRIM24TRIM33PTGDR2CA12CA1
SCHEMBL2554294 0.77 TRIM24 (0.60) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL6061092 0.76 KDM1A (0.44) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL16180558 0.74 CYP11B1 (0.49) TRIM24TRIM33CDK8CA12CA1
SCHEMBL16180046 0.73 KDM1A (0.47) PTGDR2FNTAFNTBTSHRP4HB
SCHEMBL15821011 0.73 TRIM24 (0.49) TRIM24TRIM33CLK4CA12CA1
SCHEMBL16180126 0.72 GABRG2 (0.49) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL6509365 0.71 TRIM24 (0.56) TRIM24TRIM33CDK8BRD4CA12
SCHEMBL6062294 0.70 EGLN2 (0.41) TRIM24TRIM33AXLBRD4CA12

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
EP-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 EP disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 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-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS DYRK1A 3620/4885DYRK2 3835/4885DYRK1B 3332/4885

“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.