SCHEMBL771490

SCHEMBL771490

COC(=O)c1cnn(-c2ccccc2)c1C

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.71
NPC1 O15118 12/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
MAPT P10636 3/20 0.71
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
MAPK1 P28482 1/20 0.69
PKM P14618 3/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 3/20 0.60
SLC9A1 P19634 1/20 0.59
SLC9A2 Q9UBY0 1/20 0.59
PTGS2 P35354 1/20 0.58

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
SCHEMBL1065124 0.85 ALDH1A1 (0.75) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL15167344 0.85 GPR35 (0.56) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL71048 0.84 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL27405 0.83 MAPK1 (0.78) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL2743090 0.83 ALDH1A1 (0.72) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2544046 0.82 MAPK1 (1.00) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL15168209 0.81 MAPT (0.50) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL10367090 0.81 HPGD (0.72) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2926133 0.81 MAPK1 (0.73) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL3517559 0.81 MAPK1 (0.73) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-2440554-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS Merck Serono S.A. (CH) 2012-04-18 EP disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 WO disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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 (4 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 RAB9A 2972/4885NPC1 927/4885SMN1; SMN2 4568/4885
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 RAB9A 3579/4885NPC1 655/4885SMN1; SMN2 2843/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 RAB9A 3147/4885NPC1 734/4885SMN1; SMN2 895/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 RAB9A 2869/4885NPC1 577/4885SMN1; SMN2 4638/4885

“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.