SCHEMBL4874905

SCHEMBL4874905

COc1c(C#N)cc2ccccc2c1CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.41
DYRK1A Q13627 2/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ERN1 O75460 1/20 0.35
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL6169227 0.85 CLK1 (0.41) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL5165724 0.85 MAOA (0.42) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL5183616 0.84 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL14144783 0.83 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL6230763 0.81 CLK1 (0.45) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL5166643 0.79 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL6232565 0.77 CLK1 (0.44) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL5166743 0.74 KDM4E (0.44) IMPDH2IMPDH1NCOA3KDM4EALDH1A1
SCHEMBL4656053 0.72 KDM4E (0.51) CLK1DYRK1AIMPDH2IMPDH1KDM4E
SCHEMBL13965487 0.71 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234282-A1 2-(Arylalkoxy)-1-Phenylethylamine Derivatives As NK1 Antagonist And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2008-09-25 US disclosed
US-7368448-B2 2-(arylalkoxy)-1-phenylethylamine derivatives as NK1 antagonist and serotonin reuptake inhibitors ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070185127-A1 2-(Arylalkoxy)-1-phenylethylamine derivatives as nk1 antagonist and serotonin reuptake inhibitors ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
EP-1740553-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
EP-1740552-A1 2- ( ARYLALKOXY ) -1- PHENYLETHYLAMINE DERIVATIVES AS NK1 ANTAGONIST AND SEROTONIN REUPTAKE INHIBITORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
WO-2005100324-A1 2- ( ARYLALKOXY ) -1- PHENYLETHYLAMINE DERIVATIVES AS NK1 ANTAGONIST AND SEROTONIN REUPTAKE INHIBITORS ASTRAZENECA AB (SE) 2005-10-27 WO disclosed
WO-2005100325-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS ASTRAZENECA AB (SE) 2005-10-27 WO disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 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 (4 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-20070185127-A1 2-(Arylalkoxy)-1-phenylethylamine derivatives as nk1 antagonist and serotonin reuptake inhibitors HTR1A, TPH1, HTR2A CLK1 1761/4885DYRK1A 1596/4885IMPDH2 1623/4885
US-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 CLK1 4271/4885DYRK1A 4704/4885IMPDH2 1162/4885
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors TPH1, NTSR1, HTR1D CLK1 3649/4885DYRK1A 1071/4885IMPDH2 2796/4885
US-20080234282-A1 2-(Arylalkoxy)-1-Phenylethylamine Derivatives As NK1 Antagonist And Serotonin Reuptake Inhibitors HTR1A, HTR2A, TPH1 CLK1 2143/4885DYRK1A 1650/4885IMPDH2 1555/4885

“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.