SCHEMBL16180656

SCHEMBL16180656

COc1ccnc(-c2cccc(C=O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.43
DYRK1A Q13627 3/20 0.43
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CDK8 P49336 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16180131 0.85 TRIM24 (0.44) TRIM24TRIM33CDK8BRD4MAPT
SCHEMBL6870896 0.82 ALDH1A1 (0.43) CLK4MAPTALDH1A1TSHRCYP1A2
SCHEMBL16179966 0.81 CNR1 (0.48) TRIM24TRIM33CDK8BRD4MAPT
SCHEMBL31230014 0.79 CLK4 (0.70) CLK4DYRK1AMAPTALDH1A1TSHR
SCHEMBL25269044 0.79 CLK4 (0.70) CLK4DYRK1AMAPTALDH1A1TSHR
SCHEMBL4542037 0.78 TRIM24 (0.51) CLK4DYRK1ATRIM24TRIM33CDK8
SCHEMBL14320513 0.78 CLK4 (0.46) CLK4DYRK1AMAPTALDH1A1TSHR
SCHEMBL30541548 0.78 CNR1 (0.48) TRIM24TRIM33CDK8BRD4MAPT
SCHEMBL10593988 0.78 DYRK1A (0.46) CLK4DYRK1ATRIM24TRIM33CDK8
SCHEMBL16180364 0.78 CNR1 (0.48) TRIM24TRIM33CDK8BRD4MAPT

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 CLK4 1899/4885DYRK1A 3620/4885TRIM24 3412/4885

“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.