SCHEMBL77636

SCHEMBL77636

CC(C)(C)c1noc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.57
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 8/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 4/20 0.47
PKM P14618 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
S1PR1 P21453 1/20 0.47
TP53 P04637 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 2/20 0.46

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
SCHEMBL77062 0.83 NPC1 (0.61) RAB9ANPC1NOTUMALDH1A1MAPT
SCHEMBL5643986 0.83 NR1H4 (0.51) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL15132141 0.83 RAB9A (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL6506050 0.81 ACHE (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL26262564 0.81 AOC3 (0.50) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL21914357 0.81 NPC1 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL19625438 0.81 NR1H4 (0.56) NR1H4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL20567552 0.81 AOC3 (0.44) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL26251826 0.81 RAB9A (0.57) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL21291701 0.81 NR1H4 (0.57) NR1H4RAB9ANPC1NFKB1NFKB2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use AMGEN INC. (US) 2023-08-08 US disclosed
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2023-05-11 US disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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 (12 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 NR1H4 3247/4885RAB9A 1513/4885NPC1 3672/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NR1H4 4588/4885RAB9A 3465/4885NPC1 3856/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 NR1H4 3490/4885RAB9A 1490/4885NPC1 3877/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 NR1H4 3066/4885RAB9A 2280/4885NPC1 3518/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 NR1H4 3091/4885RAB9A 1616/4885NPC1 4114/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 NR1H4 3490/4885RAB9A 1490/4885NPC1 3877/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG NR1H4 4508/4885RAB9A 361/4885NPC1 509/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH NR1H4 128/4885RAB9A 1590/4885NPC1 79/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 NR1H4 3247/4885RAB9A 1513/4885NPC1 3672/4885
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use MSR1, FPR2, CD14 NR1H4 804/4885RAB9A 2767/4885NPC1 1494/4885
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 NR1H4 804/4885RAB9A 2767/4885NPC1 1494/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 NR1H4 3583/4885RAB9A 2309/4885NPC1 4413/4885

“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.