SCHEMBL4854778

SCHEMBL4854778

Brc1cn(-c2ccccn2)c2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
CYP17A1 P05093 2/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTK2 Q05397 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR7 P34969 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL26297808 0.84 POLB (0.49) POLBTSHRCYP17A1CYP1A2GAA
SCHEMBL4858071 0.75 DYRK1A (0.45) DYRK1ACYP1A2MAPTKDM4EGSK3B
SCHEMBL21547731 0.71 MAPT (0.69) MAPTCDC7CDK2
SCHEMBL4856807 0.71 CNR1 (0.44) DYRK1ACYP1A2GSK3BKCNH2KDM4C
SCHEMBL16037807 0.70 POLB (0.70) POLBCYP17A1CYP1A2MAPTALDH1A1
SCHEMBL28679956 0.69 POLB (0.46) POLBTSHRCYP17A1CYP1A2GAA
SCHEMBL2877666 0.68 DYRK1A (0.59) DYRK1AMAPTGSK3BKCNH2
SCHEMBL4851858 0.68 CYP19A1 (0.56) DYRK1ACYP1A2KDM4EGSK3BKCNH2
SCHEMBL22289612 0.67 CDC7 (0.59) POLBCYP17A1CYP1A2MAPTPTK2
SCHEMBL16036625 0.67 POLB (0.70) POLBCYP17A1CYP1A2MAPTALDH1A1

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 1117/4885POLB 1933/4885TSHR 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.