SCHEMBL648109

SCHEMBL648109

[CH2]c1ccc2c(c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.46
DYRK1B Q9Y463 3/20 0.46
CLK1 P49759 1/20 0.46
CTNNB1 P35222 7/20 0.45
WNT3A P56704 7/20 0.45
PRKCI P41743 1/20 0.44
NOTUM Q6P988 1/20 0.44
RIPK1 Q13546 1/20 0.40
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TRIM24 O15164 1/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
DYRK2 Q92630 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL293090 0.88 PRKCI (0.52) DYRK1ADYRK1BCLK1PRKCIDYRK2
SCHEMBL647651 0.84 KCNH2 (0.37) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL97600 0.77 NPC1 (0.44)
SCHEMBL266080 0.76 PRKCI (0.49) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL10549128 0.76 CLK1 (0.46) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL23653205 0.76 DYRK1A (0.46) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL172501 0.76 ALDH1A1 (0.50) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL459693 0.76 CTNNB1 (0.49) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL4854354 0.76 LMNA (0.50) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL753333 0.76 DYRK1A (0.46) DYRK1ADYRK1BCLK1CTNNB1WNT3A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US claimed
US-7169775-B2 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-01-30 US claimed
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN claimed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP claimed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US claimed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8007767-B2 Amino methyl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-08-30 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-20070212297-A1 Amino methyl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-13 US disclosed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US disclosed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP 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-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators C5AR1, C5AR2, C3AR1 DYRK1A 3016/4885DYRK1B 2573/4885CLK1 3446/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 DYRK1A 3788/4885DYRK1B 3440/4885CLK1 3425/4885
US-20070212297-A1 Amino methyl imidazoles and related compounds as C5a receptor modulators C5AR1, C3AR1, C5AR2 DYRK1A 2674/4885DYRK1B 2159/4885CLK1 3461/4885

“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.