SCHEMBL1136711

SCHEMBL1136711

Nc1nc(CN2CCN(c3ccccc3)CC2)cs1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.71
DRD3 P35462 7/20 0.71
DRD2 P14416 6/20 0.71
SMN1; SMN2 Q16637 2/20 0.62
HTR7 P34969 1/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.48
NOS1 P29475 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL10332832 0.84 HTR2A (0.65) DRD4DRD3DRD2HTR7HTR2A
SCHEMBL1136779 0.81 KDM4E (0.55) DRD4DRD3DRD2SMN1; SMN2KDM4E
SCHEMBL1136661 0.81 SMN1; SMN2 (0.54) DRD4DRD3DRD2SMN1; SMN2HTR7
SCHEMBL11165697 0.80 SMN1; SMN2 (0.55) DRD4DRD3DRD2SMN1; SMN2KMT2A
SCHEMBL11623344 0.80 DRD4 (0.66) DRD4DRD3DRD2SMN1; SMN2HTR7
SCHEMBL11622269 0.80 DRD4 (0.70) DRD4DRD3DRD2SMN1; SMN2HTR7
SCHEMBL11623972 0.79 DRD2 (0.64) DRD4DRD3DRD2SMN1; SMN2HTR7
SCHEMBL1033875 0.78 SMN1; SMN2 (0.73) DRD4DRD3DRD2SMN1; SMN2KDM4E
SCHEMBL20640292 0.78 GABRA5 (0.51) SMN1; SMN2HTR7KMT2AMEN1ALDH1A1
SCHEMBL307293 0.77 SMN1; SMN2 (1.00) DRD4DRD3DRD2SMN1; SMN2KDM4E

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
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
EP-1896434-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
WO-2006076632-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFκB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US 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-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 DRD4 3068/4885DRD3 2009/4885DRD2 3256/4885

“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.