SCHEMBL3339974

SCHEMBL3339974

Bc1ccnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.59
AXL P30530 1/20 0.59
AURKB Q96GD4 3/20 0.52
IKBKB O14920 3/20 0.52
CHUK O15111 3/20 0.52
IGF1R P08069 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
JAK2 O60674 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
FGFR1 P11362 1/20 0.52
PRKACA P17612 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL2240671 0.77 AURKB (0.71) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL30991796 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL306661 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL29605623 0.74 NUDT1 (0.61) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL858771 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL91443 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL1176829 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL99690 0.74 PRKCI (1.00) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL21062776 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL30788412 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 WO disclosed
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2022-02-24 US disclosed
US-10793562-B2 N-pyridinyl acetamide derivatives as Wnt signalling pathway inhibitors REDX PHARMA PLC (GB) 2020-10-06 US disclosed
US-20190144447-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2019-05-16 US disclosed
WO-2017066742-A1 BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE JORTAN PHARMACEUTICALS INC. (US) 2017-04-20 WO disclosed
EP-2467387-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS. KARUS THERAPEUTICS LTD (GB) 2015-01-07 EP disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 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 (3 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-10793562-B2 N-pyridinyl acetamide derivatives as Wnt signalling pathway inhibitors WNT1, WNT3, CTNNB1 PRKCI 408/4885AXL 4606/4885AURKB 828/4885
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES CYP3A7, UGT2B7, CDK7 PRKCI 2544/4885AXL 2050/4885AURKB 815/4885
US-20190144447-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS WNT1, WNT3, CTNNB1 PRKCI 408/4885AXL 4606/4885AURKB 828/4885

“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.