SCHEMBL2901431

SCHEMBL2901431

Nc1nc(-c2cccc3c2OCO3)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
MPL P40238 3/20 0.47
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
RIPK3 Q9Y572 1/20 0.40
TYR P14679 1/20 0.40
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 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
SCHEMBL2896414 0.88 MAPT (0.51) HSD17B10MPLMAPTALDH1A1RAB9A
SCHEMBL7594061 0.74 ABCG2 (0.55) RIPK3CHEK1CHEK2CYP1A2PTGS2
SCHEMBL3433088 0.74 CHEK2 (0.40) HSD17B10MAPTALDH1A1RIPK3CHEK1
SCHEMBL10657892 0.70 RIPK3 (0.38) HSD17B10MAPTALDH1A1RIPK3CHEK1
SCHEMBL4347210 0.69 RIPK3 (0.56) MAPTALDH1A1SMN1; SMN2RIPK3CHEK1
SCHEMBL5329732 0.69 RAB9A (0.80) HSD17B10MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL25910897 0.68 CHEK1 (0.40) RIPK3CHEK1CHEK2MEN1KMT2A
SCHEMBL5613137 0.68 TSHR (0.36) HSD17B10MAPTALDH1A1RIPK3CHEK1
SCHEMBL4367505 0.68 HSD17B10 (0.67) HSD17B10MPLMAPTALDH1A1RAB9A
SCHEMBL713110 0.67 HSD17B10 (0.61) HSD17B10MPLMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-2089355-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- KAPPA B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-08-19 EP disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 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 (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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA HSD17B10 1359/4885MPL 4448/4885MAPT 1222/4885
US-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R HSD17B10 326/4885MPL 3864/4885MAPT 4783/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 HSD17B10 363/4885MPL 3654/4885MAPT 4654/4885

“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.