SCHEMBL273000

SCHEMBL273000

CC(C)(C)OC(=O)n1cc(CC#N)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
EPHX1 P07099 1/20 0.52
NR1H2 P55055 2/20 0.47
PDE10A Q9Y233 1/20 0.47
HTR6 P50406 1/20 0.46
ADAM17 P78536 1/20 0.46
ACHE P22303 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIM1 P11309 1/20 0.43
MARK3 P27448 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2B Q13554 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL3132751 0.88 L3MBTL1 (0.61) L3MBTL1EPHX1NR1H2PDE10AHTR6
SCHEMBL1520892 0.85 L3MBTL1 (0.70) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL10088115 0.85 L3MBTL1 (0.74) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL29353520 0.83 HTR6 (0.51) L3MBTL1EPHX1NR1H2HTR6ACHE
SCHEMBL15777186 0.83 L3MBTL1 (0.45) L3MBTL1EPHX1NR1H2PDE10AHTR6
SCHEMBL1241271 0.83 L3MBTL1 (0.45) L3MBTL1EPHX1NR1H2PDE10AHTR6
SCHEMBL19273398 0.83 L3MBTL1 (0.45) L3MBTL1EPHX1NR1H2PDE10AHTR6
SCHEMBL29352824 0.83 L3MBTL1 (0.45) L3MBTL1EPHX1NR1H2PDE10AHTR6
SCHEMBL15776738 0.83 HTR6 (0.51) L3MBTL1EPHX1NR1H2HTR6ACHE
SCHEMBL15776173 0.83 HTR6 (0.51) L3MBTL1EPHX1NR1H2HTR6NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2019-06-06 US disclosed
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2019-01-29 US disclosed
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 US disclosed
WO-2004092167-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-20 US disclosed
WO-2004019935-A1 -3 (SULFONAMIDOETHYL) -INDOLE DERIVATIES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-11 WO disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (10 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 L3MBTL1 2447/4885EPHX1 3039/4885NR1H2 3482/4885
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA L3MBTL1 2352/4885EPHX1 2730/4885NR1H2 3175/4885
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR L3MBTL1 4876/4885EPHX1 1209/4885NR1H2 474/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 L3MBTL1 1137/4885EPHX1 3514/4885NR1H2 246/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 L3MBTL1 2447/4885EPHX1 3039/4885NR1H2 3482/4885
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 L3MBTL1 1926/4885EPHX1 2707/4885NR1H2 1078/4885
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R L3MBTL1 3888/4885EPHX1 1191/4885NR1H2 88/4885
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 L3MBTL1 1548/4885EPHX1 2419/4885NR1H2 662/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR L3MBTL1 4844/4885EPHX1 3649/4885NR1H2 142/4885
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 L3MBTL1 1548/4885EPHX1 2419/4885NR1H2 662/4885

“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.