SCHEMBL6478409

SCHEMBL6478409

N#Cc1cc(C(=O)CBr)cc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.46
PTPN1 P18031 5/20 0.34
HSD11B1 P28845 5/20 0.33
S1PR3 Q99500 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 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
SCHEMBL2876065 0.83 GSK3B (0.50) GSK3BPTPN1HSD11B1KDM4EALDH1A1
SCHEMBL8881196 0.81 GSK3B (0.44) GSK3BPTPN1S1PR3
SCHEMBL8934245 0.79 HSD11B1 (0.36) HSD11B1S1PR3SLC22A12KDM4EALDH1A1
SCHEMBL10493922 0.78 CYP2C9 (0.41) GSK3BPTPN1SLC22A12
SCHEMBL1303698 0.78 GSK3B (0.54) GSK3BPTPN1S1PR3
SCHEMBL11643593 0.77 ADRB2 (0.38) HSD11B1S1PR3KDM4EALDH1A1
SCHEMBL11643153 0.77 ADRB2 (0.39) S1PR3KDM4EALDH1A1GLAGAA
SCHEMBL28782898 0.77 CA1 (0.44) GSK3BPTPN1HSD11B1GAA
SCHEMBL11643587 0.76 SMN1; SMN2 (0.33) HSD11B1S1PR3ALDH1A1
SCHEMBL11642440 0.76 HSD11B1 (0.36) HSD11B1KDM4EALDH1A1GLAGAA

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-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 WO disclosed
US-4845262-A NITRILE CONTAINING BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0259750-A2 Aryl ethanol amines, process for their preparation and their use as growth promotors BAYER AG (DE) 1988-03-16 EP 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-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D GSK3B 1914/4885PTPN1 1995/4885HSD11B1 249/4885

“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.