SCHEMBL1713730

SCHEMBL1713730

O=Cc1c[nH]c2ncc(N3CCOCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.45
ALDH1A1 P00352 2/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
MAP4K1 Q92918 2/20 0.43
IL2 P60568 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MET P08581 1/20 0.40
POLB P06746 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
KLKB1 P03952 1/20 0.39
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL12459540 0.84 MAP4K1 (0.43) ALDH1A1MAP4K1IL2KMT2AMEN1
SCHEMBL18892042 0.80 MAP4K1 (0.47) MAPK1MAP4K1IL2METCLK1
SCHEMBL1487564 0.80 MAP4K1 (0.47) MAPK1PIK3CDPIK3CAPIK3CBMAP4K1
SCHEMBL1714048 0.79 MAPT (0.48) MAPK1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL1714050 0.79 MAPT (0.48) MAPK1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL24758082 0.78 NTRK1 (0.48) ALDH1A1KMT2APOLB
SCHEMBL30689022 0.76 ALDH1A1 (0.62) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557641 0.75 MAPK1 (0.48) MAPK1MAP4K1IL2METCLK1
SCHEMBL20504119 0.75 MAPK1 (0.51) MAPK1PIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL15902330 0.74 PIK3CD (0.57) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
WO-2008046982-A2 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2008-04-24 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 (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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 MAPK1 281/4885ALDH1A1 4307/4885PIK3CD 53/4885

“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.