SCHEMBL4903567

SCHEMBL4903567

CC(C)c1ccc(-c2nccc(-c3cccc(C#N)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 11/20 0.52
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 8/20 0.46
CYP2C19 P33261 7/20 0.46
CYP2D6 P10635 6/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 5/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GRM5 P41594 2/20 0.46
DYRK1A Q13627 2/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 3/20 0.45
CYP2C9 P11712 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
IDO1 P14902 1/20 0.44
KMO O15229 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4901397 0.85 CLK4 (0.56) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL4897291 0.85 CLK4 (0.60) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL12474716 0.85 CLK4 (0.54) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL14183668 0.82 CLK4 (0.52) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL25900264 0.81 GRM5 (0.50) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL15340930 0.80 CLK4 (0.51) CLK4CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL12919972 0.79 ADAMTS4 (0.48) CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL4900044 0.77 MAP4K4 (0.54) ALDH1A1KMOMEN1KMT2A
SCHEMBL10022357 0.77 KDM1A (0.53) CLK4GRM5IDO1METPDE1A
SCHEMBL7260264 0.76 CLK4 (0.54) CLK4CYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. (US) 2016-08-11 US disclosed
US-9315467-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. 2008-05-22 US disclosed
CN-101076337-A Compounds for inhibiting nonsense mutations and methods of use thereof PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
EP-1799212-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044505-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (2 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-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 CLK4 4450/4885CYP1A2 4709/4885CYP3A4 4836/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 CLK4 4450/4885CYP1A2 4709/4885CYP3A4 4836/4885

“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.