SCHEMBL1586090

SCHEMBL1586090

O=c1[nH]c2ccc(Br)nc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.47
PDE3A Q14432 16/20 0.47
PDE2A O00408 2/20 0.47
TYRO3 Q06418 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
FYN P06241 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL23234452 0.83 DAO (0.41)
SCHEMBL5786187 0.77 SIRT2 (0.60) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL1502964 0.77 PDE3B (0.50) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL16939766 0.76 PDE3B (0.44) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL1163700 0.76 SIRT2 (0.64) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL2419011 0.72 PDE3B (0.47) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL29703027 0.71 PDE3B (0.41) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL20777269 0.71 ADORA3 (0.57) PDE3BPDE3APDE2APRKD3MAP4K4
SCHEMBL29213685 0.71 GALR3 (0.51) PDE3BPDE3APDE2ATYRO3DYRK1B
SCHEMBL11230300 0.70 PDE3B (0.55) PDE3BPDE3APDE2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
US-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
EP-2485731-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2012-08-15 EP disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 WO 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 (4 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-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDH2, CYP4B1, RB1 PDE3B 901/4885PDE3A 928/4885PDE2A 1399/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PDE3B 3972/4885PDE3A 4057/4885PDE2A 4228/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PDE3B 3972/4885PDE3A 4057/4885PDE2A 4228/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 PDE3B 2625/4885PDE3A 2929/4885PDE2A 2916/4885

“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.