SCHEMBL4848770

SCHEMBL4848770

O=C1CCCN1CCn1cc(Br)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NFATC1 O95644 3/20 0.39
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
KDM4C Q9H3R0 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 2/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ADRA1D P25100 2/20 0.35

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
SCHEMBL4855054 0.78 DYRK1A (0.47) CNR2NFATC1GSK3BDYRK1ASMN1; SMN2
SCHEMBL4857617 0.74 NFATC1 (0.61) CNR2NFATC1GSK3BDYRK1AHTT
SCHEMBL4858180 0.73 DYRK1A (0.46) CNR2NFATC1GSK3BDYRK1AKDM4C
SCHEMBL21917168 0.71 TBXAS1 (0.47) CNR2NFATC1GSK3BDYRK1AKDM4C
SCHEMBL4857833 0.71 CYP19A1 (0.41) ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL21917355 0.71 DYRK1A (0.44) CNR2NFATC1GSK3BDYRK1AKDM4C
SCHEMBL4852904 0.71 CNR2 (0.48) CNR2ALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL4852832 0.70 DYRK1A (0.41) CNR2NFATC1GSK3BDYRK1AKDM4C
SCHEMBL27148109 0.70 GRM2 (0.39) CNR2KDM4CKMT2APOLBTDP1
SCHEMBL21917167 0.70 DYRK1A (0.67) CNR2NFATC1GSK3BDYRK1AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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 (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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CNR2 3224/4885ALDH1A1 3257/4885TSHR 3893/4885

“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.