SCHEMBL4597649

SCHEMBL4597649

Cc1cc(C#N)ccc1Sc1ccc(C=O)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
PDE10A Q9Y233 1/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIN1 Q13526 1/20 0.32
KMT2A Q03164 2/20 0.32
LRRK2 Q5S007 1/20 0.32
CASP3 P42574 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
APP P05067 2/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
RAD51 Q06609 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL4596513 0.81 MAOA (0.44)
SCHEMBL4597739 0.80 ERN1 (0.36) CASP3
SCHEMBL29956134 0.75 ALDH1A1 (0.43) ARCSNK1DCSNK1A1GSK3BCSNK1G2
SCHEMBL2460307 0.75 ALDH1A1 (0.43) ARCSNK1DCSNK1A1GSK3BCSNK1G2
SCHEMBL5576516 0.71 AR (0.40) ARPDE10ALRRK2
SCHEMBL29954709 0.68 ALDH1A1 (0.43) ARCASP3RAD51
SCHEMBL12132595 0.68 ALDH1A1 (0.43) ARCASP3RAD51
SCHEMBL122620 0.67 KMT2A (0.41) ARDYRK1APIN1KMT2ACASP3
SCHEMBL6925223 0.67 ALDH1A1 (0.43) ARCSNK1DCSNK1A1GSK3BCSNK1G2
SCHEMBL4440433 0.66 AR (0.60) ARKMT2AEGLN2

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 AR 1077/4885PDE10A 1571/4885CSNK1D 2739/4885

“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.