SCHEMBL2532385

SCHEMBL2532385

CC(=O)c1ccc(Cl)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.46
GABRG2 P18507 6/20 0.46
GABRB3 P28472 6/20 0.46
GABRB2 P47870 4/20 0.46
GABRB1 P18505 2/20 0.46
USP7 Q93009 1/20 0.46
VCAM1 P19320 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL10401308 0.83 SMN1; SMN2 (0.57) VCAM1SMN1; SMN2TSHRCASP1KDM4E
SCHEMBL17099927 0.81 ADRA1D (0.49) GABRA1GABRG2GABRB3GABRB2VCAM1
SCHEMBL12078300 0.81 ABL1 (0.58) CA12CA9SMN1; SMN2GAAKDM4E
SCHEMBL8670727 0.79 KDM4E (0.45) GABRA1GABRG2GABRB3GABRB2SMN1; SMN2
SCHEMBL8757233 0.79 SMN1; SMN2 (0.41) SMN1; SMN2GAAKDM4EL3MBTL1
SCHEMBL16051600 0.78 CYP1A2 (0.49) MAOBSMN1; SMN2KDM4EL3MBTL1
SCHEMBL14620529 0.78 KDM4E (0.49) SMN1; SMN2GAAKDM4EL3MBTL1
SCHEMBL2071742 0.76 KDM4E (0.43) USP7SMN1; SMN2TMPRSS4GAAKDM4E
SCHEMBL20117002 0.76 ALDH1A1 (0.50) CA12CA9MAOBSMN1; SMN2TSHR
SCHEMBL8671847 0.75 ALDH1A1 (0.59) MAOBSMN1; SMN2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781519-B1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME ST PHARM CO LTD (KR) 2019-10-30 EP disclosed
US-9499537-B2 Antiviral pyrrolopyridine derivatives and method for preparing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-11-22 US disclosed
EP-2781519-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME Korea Research Institute of Chemical Technology (KR) 2014-09-24 EP disclosed
US-20140249162-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-09-04 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 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 (2 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-20140249162-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME MAVS, IMPDH1, SARS1 GABRA1 3530/4885GABRG2 3793/4885GABRB3 3941/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 GABRA1 1331/4885GABRG2 2536/4885GABRB3 1450/4885

“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.