SCHEMBL950329

SCHEMBL950329

N#CCC(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 4/20 0.38
SLC6A12 P48065 1/20 0.36
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABL1 P00519 5/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL949704 0.83 EGFR (0.46) MAPTMEN1KMT2AKCNH2PTGS2
SCHEMBL8547431 0.77 HSP90AB1 (0.43) MAPTMEN1KMT2ASLC6A12CYP3A4
SCHEMBL27510077 0.77 SLC6A12 (0.38) MAPTKMT2ASLC6A12KDM4EGAA
SCHEMBL1568399 0.75 SLC6A12 (0.43) MAPTKMT2ASLC6A12GAA
SCHEMBL948485 0.75 LMNA (0.56) MAPTMEN1KMT2ACYP1A2CYP2C19
Water SCHEMBL28081708 0.74 SMN1; SMN2 (0.48) MEN1KMT2ASLC6A12CYP1A2KDM4E
SCHEMBL12914368 0.72 SLC6A12 (0.36) SLC6A12
SCHEMBL26803352 0.72 SLC6A12 (0.39) SLC6A12ALDH1A1
SCHEMBL2160610 0.72 MAPT (0.39) MAPTMEN1KMT2AKCNH2CYP3A4
SCHEMBL56617 0.71 SMN1; SMN2 (0.50) MEN1KMT2ASLC6A12CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2247597-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2010-11-10 EP disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 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-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 MAPT 3515/4885MEN1 3437/4885KMT2A 1635/4885

“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.