SCHEMBL21083012

SCHEMBL21083012

Cc1nc2c(B(O)O)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.43
NR1H3 Q13133 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GRM5 P41594 1/20 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
SCHEMBL6585158 0.85 NR1H2 (0.45) NR1H2NR1H3CA12CA9L3MBTL1
SCHEMBL7016266 0.83 NR1H2 (0.46) NR1H2NR1H3CA12CA9PARP1
SCHEMBL20494743 0.81 NR1H2 (0.45) NR1H2NR1H3CA12CA9CHRM2
SCHEMBL7484481 0.79 DCTPP1 (0.47) NR1H2NR1H3CA12CA9
SCHEMBL133464 0.76 ALDH1A1 (0.57) NR1H2L3MBTL1BCHE
SCHEMBL6581361 0.75 NR1H2 (0.39) NR1H2NR1H3CA12CA9BCHE
SCHEMBL16460751 0.73 DCTPP1 (0.36) NR1H2NR1H3CA12CA9BCHE
SCHEMBL861356 0.73 NR1H2 (0.35) NR1H2NR1H3CA12CA9BCHE
SCHEMBL7023036 0.72 NR1H2 (0.39) NR1H2NR1H3CA12CA9CHRM2
SCHEMBL4715525 0.72 NR1H2 (0.44) NR1H2NR1H3CA12CA9HSP90AA1

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-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-11-24 US disclosed
US-20190202786-A1 PYRIDINE DICARBOXAMIDE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-07-04 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 (2 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-20190202786-A1 PYRIDINE DICARBOXAMIDE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRPF3 NR1H2 1175/4885NR1H3 1123/4885CA12 2198/4885
US-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors BRD4, BRD3, BRPF3 NR1H2 1175/4885NR1H3 1123/4885CA12 2198/4885

“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.