SCHEMBL4324936

SCHEMBL4324936

[c]1nc2ccccc2cc1-c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP19A1 P11511 1/20 0.39
KDM1A O60341 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NQO1 P15559 1/20 0.39
NQO2 P16083 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
IKBKB O14920 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL5742771 0.80 TLR8 (0.42) NQO2ALDH1A1GLAMAPTACHE
SCHEMBL2893870 0.79 RAB9A (0.46) APPALDH1A1GLAMAPTHPGD
SCHEMBL2278930 0.75 NPC1 (0.51) ADORA1ADORA2AALDH1A1GLAMAPT
SCHEMBL3759951 0.73 APP (0.44) APPADORA1ADORA2AHSD17B1HSD17B2
SCHEMBL29732980 0.73 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL845603 0.73 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL4875674 0.73 MAPT (0.39) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL628270 0.73 ALDH1A1 (0.43) NQO2ALDH1A1GLAMAPTHPGD
SCHEMBL4153124 0.72 APP (0.42) APPADORA1ADORA2AHSD17B1HSD17B2
SCHEMBL467307 0.70 APP (0.47) APPHSD17B1HSD17B2CYP19A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US claimed
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
EP-1436272-B1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-05-07 EP disclosed
US-7309800-B2 Biphenylcarboxylic amide derivatives as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-12-18 US disclosed
US-20070105860-A1 Biphenylcarboxylic Amide Derivatives as p38 Kinase Inhibitors GLAXO GROUP LIMITED 2007-05-10 US disclosed
US-7151118-B2 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2006-12-19 US disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 US disclosed
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-01-27 US disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1436272-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033483-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 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 (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-20070105860-A1 Biphenylcarboxylic Amide Derivatives as p38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK3 APP 4127/4885ADORA1 2931/4885ADORA2A 2436/4885
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 APP 1559/4885ADORA1 2153/4885ADORA2A 2463/4885
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors MAPK1, MAPKAPK2, MAP3K1 APP 3857/4885ADORA1 3530/4885ADORA2A 3144/4885

“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.