SCHEMBL5046599

SCHEMBL5046599

Ic1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
MAPK13 O15264 2/20 0.33
GCGR P47871 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL2028396 0.89 ADH5 (0.32)
SCHEMBL13411813 0.86 ADH5 (0.36)
SCHEMBL17254440 0.80 ESR1 (0.33)
SCHEMBL184092 0.78 DCUN1D1 (0.44) METAP2
SCHEMBL1875818 0.78
SCHEMBL595369 0.78 PKM (0.44)
SCHEMBL1774400 0.78 ALPL (0.46) METAP2MAPK13GCGRMAPK12MAPK11
SCHEMBL705663 0.78 NPC1 (0.40) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL264036 0.78 NPC1 (0.42) METAP2
SCHEMBL595550 0.78 IDO1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
EP-3765454-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF Universita' Degli Studi di Siena (IT) 2021-01-20 EP disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
US-9603852-B2 Treatment of obesity and pulmonary arterial hypertension ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-03-28 US disclosed
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
CN-100439357-C Benzo [b][1,4] dioxepine derivatives HOFFMANN LA ROCHE (CH) 2008-12-03 CN disclosed
US-7459480-B2 Benzodioxepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
EP-1682528-B1 BENZO [b][1,4] DIOXEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-12 EP disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
CN-1875015-A Benzo [b][1,4] dioxepine derivatives HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
EP-1682528-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 US disclosed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 US disclosed
WO-2005044814-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
EP-1499600-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-26 EP disclosed
WO-2003093248-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-13 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 METAP2 2108/4885MAPK13 27/4885GCGR 3226/4885
US-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 METAP2 380/4885MAPK13 4345/4885GCGR 3929/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 METAP2 380/4885MAPK13 4345/4885GCGR 3929/4885
US-20050113374-A1 Benzodioxepine derivatives BBOX1, ACOX1, ACOX3 METAP2 3306/4885MAPK13 3182/4885GCGR 784/4885

“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.