SCHEMBL4950054

SCHEMBL4950054

O=c1[nH][nH]c2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.70
CHEK1 O14757 1/20 0.59
AURKA O14965 1/20 0.59
DAPK3 O43293 1/20 0.59
JAK2 O60674 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PAK4 O96013 1/20 0.59
ABL1 P00519 1/20 0.59
NTRK1 P04629 1/20 0.59
CSF1R P07333 1/20 0.59
RET P07949 1/20 0.59
MET P08581 1/20 0.59
PDGFRB P09619 1/20 0.59
PIM1 P11309 1/20 0.59
FGFR1 P11362 1/20 0.59
PDGFRA P16234 1/20 0.59
PRKACA P17612 1/20 0.59
FLT1 P17948 1/20 0.59
LTK P29376 1/20 0.59

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
SCHEMBL3477487 0.83 DAO (1.00) DAOCHEK1AURKADAPK3JAK2
SCHEMBL3110885 0.82 DAO (0.69) DAOKDM4EALDH1A1METAP2PARP1
SCHEMBL1383605 0.75 CA12 (0.54) DAOKDM4EALDH1A1GLAGAA
SCHEMBL3906637 0.74 RPS6KA3 (0.59) DAOCHEK1AURKADAPK3JAK2
SCHEMBL3924921 0.74 CHEK1 (0.59) DAOCHEK1AURKADAPK3JAK2
SCHEMBL18396207 0.74 CHEK1 (1.00) DAOCHEK1AURKADAPK3JAK2
SCHEMBL12241447 0.74 CHEK1 (0.59) DAOCHEK1AURKADAPK3JAK2
SCHEMBL612899 0.74 DAO (0.70) DAOCHEK1AURKADAPK3JAK2
SCHEMBL2151265 0.71 PGR (0.68) DAOKDM4EALDH1A1GLAGAA
SCHEMBL12240935 0.71 CHEK1 (0.55) DAOCHEK1AURKADAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
EP-1827427-A1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP disclosed
EP-1824480-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2007-08-29 EP disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
WO-2006061376-A1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL D0PAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
WO-2006061377-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122247-A1 Aryloxyethylamine and phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US 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 (3 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-20060122247-A1 Aryloxyethylamine and phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2A, HTR2C, HTR1A DAO 323/4885CHEK1 3800/4885AURKA 2853/4885
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A DAO 341/4885CHEK1 4187/4885AURKA 3714/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A DAO 341/4885CHEK1 4187/4885AURKA 3714/4885

“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.