SCHEMBL3522808

SCHEMBL3522808

CN1CCN(Cc2noc3cc(Br)ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.56
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PIM1 P11309 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
HTR6 P50406 4/20 0.38
HTR2C P28335 3/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
DRD3 P35462 2/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL30476250 0.89 PIM1 (0.50) ACHEKDM4EALDH1A1MAPTPIM1
SCHEMBL3523047 0.87 ACHE (0.59) ACHEKDM4EMAPTPIM1CSNK2A2
SCHEMBL3524808 0.86 ACHE (0.58) ACHEKDM4EMAPTPIM1CSNK2A2
SCHEMBL3523468 0.85 ACHE (0.57) ACHEALDH1A1MAPT
SCHEMBL19793131 0.81 ACHE (0.59) ACHEPIM1CSNK2BBCHE
SCHEMBL21026030 0.74 KDM4E (0.49) KDM4EALDH1A1MAPTPIM1CSNK2A2
SCHEMBL3523748 0.73 ACHE (0.45) ACHEKDM4EALDH1A1MAPT
SCHEMBL6987260 0.72 ACHE (1.00) ACHEBCHE
SCHEMBL30645695 0.71 ACHE (0.44) ACHEKDM4EALDH1A1MAPT
SCHEMBL19793133 0.71 ACHE (0.44) ACHEKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 ACHE 4513/4885KDM4E 4559/4885ALDH1A1 1269/4885

“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.