SCHEMBL4858071

SCHEMBL4858071

Brc1cn(Cc2ccccn2)c2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
KDM4C Q9H3R0 1/20 0.45
KCNH2 Q12809 1/20 0.45
CDK2 P24941 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
ADRA1D P25100 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4857328 0.87 CYP1B1 (0.42) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4856807 0.86 CNR1 (0.44) DYRK1AKDM4CKCNH2NFATC1GSK3B
SCHEMBL29801631 0.81 DYRK1A (0.66) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4857531 0.81 DYRK1A (0.66) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4849408 0.77 DYRK1A (0.53) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4858970 0.77 CYP19A1 (0.46) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4854778 0.75 DYRK1A (0.41) DYRK1AKDM4CKCNH2CDK2KDM4E
SCHEMBL4855301 0.75 DYRK1A (0.43) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4857216 0.74 DYRK1A (0.45) DYRK1AKDM4CKCNH2CDK2DYRK1B
SCHEMBL4859078 0.74 DYRK1A (0.51) DYRK1AKDM4CKCNH2CDK2DYRK1B

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 DYRK1A 1117/4885KDM4C 1604/4885KCNH2 2535/4885

“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.