SCHEMBL5037643

SCHEMBL5037643

Nc1nc(Cc2ccc(-c3ccncc3)cc2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 14/20 0.50
CYP11B1 P15538 12/20 0.50
CYP11B2 P19099 12/20 0.50
CYP3A4 P08684 8/20 0.50
CYP19A1 P11511 6/20 0.50
PNP P00491 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
AURKA O14965 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL13611375 0.81 CYP17A1 (0.43) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL11961681 0.78 CYP17A1 (0.41) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL11961971 0.78 HSP90AB1 (0.34) CYP3A4PNPALDH1A1HRH3
SCHEMBL13604221 0.78 HRH3 (0.42) PNPALDH1A1HRH3
SCHEMBL13604219 0.78 LTB4R (0.49) PNPMEN1ALDH1A1KMT2AHRH3
Hydrochloric Acid SCHEMBL5042672 0.77 HRH3 (0.41) PNPALDH1A1HRH3
SCHEMBL7371292 0.75 LOXL2 (0.44) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL4439445 0.74 ALDH1A1 (0.51) LMNAKDM4EALDH1A1CYP2D6HPGD
SCHEMBL1136768 0.72 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL14521955 0.70 MAPK14 (0.43)

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
EP-1708701-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7605264-B2 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-7605264-B2 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1708699-A4 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2007-11-28 EP disclosed
EP-1708699-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-11 EP disclosed
US-20050182110-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US disclosed
WO-2005072729-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 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-20050182110-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof NR3C1, NFRKB, NCOR1 CYP17A1 181/4885CYP11B1 86/4885CYP11B2 112/4885

“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.