SCHEMBL538575

SCHEMBL538575

O=C(O)Cc1ccc(-c2ccccc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ GABRP O00591 1/20 0.56
▸ GABRD O14764 1/20 0.56
▸ GABRA1 P14867 1/20 0.56
▸ GABRB1 P18505 1/20 0.56
▸ GABRG2 P18507 1/20 0.56
▸ GABRB3 P28472 1/20 0.56
▸ GABRA5 P31644 1/20 0.56
▸ GABRA3 P34903 1/20 0.56
▸ GABRA2 P47869 1/20 0.56
▸ GABRB2 P47870 1/20 0.56
▸ GABRA4 P48169 1/20 0.56
▸ GABRE P78334 1/20 0.56
▸ GABRA6 Q16445 1/20 0.56
▸ GABRG1 Q8N1C3 1/20 0.56

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
SCHEMBL15520353 0.86 CYP11B1 (0.57) LDHAWNT3ACYP11B1CYP11B2NPC1
SCHEMBL31716043 0.83 WNT3A (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL539095 0.83 PDE4B (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29562628 0.83 HPGDS (0.54) ABCC4LMNAGAATSHRPTGS1
SCHEMBL16361002 0.83 HPGDS (0.54) ABCC4LMNAGAATSHRPTGS1
SCHEMBL5298125 0.83 FFAR1 (0.61) LDHAP4HTMCYP11B1CYP11B2NPC1
SCHEMBL31716086 0.80 LDHA (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2412899 0.79 CYP11B1 (0.59) LDHACYP11B1CYP11B2NPC1RAB9A
SCHEMBL5265678 0.79 CA2 (0.58) ABCC4LMNAGAATSHRPTGS1
SCHEMBL3511950 0.78 NPC1 (0.51) ABCC4LMNAGAATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2024-02-15 — — US disclosed
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-04-21 — — US disclosed
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-08-19 — — US disclosed
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2019-02-05 — — US disclosed
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2017-07-13 — — US disclosed
US-9655903-B2 Compositions and methods of treating cell proliferation disorders ATHENEX, INC. (US) 2017-05-23 — — US disclosed
US-9580387-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2017-02-28 — — US disclosed
CN-103274961-B The Compounds and methods for for the treatment of cell generation disorders KINEX PHARMACEUTICALS LLC (US) 2016-05-18 — — CN disclosed
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2015-07-02 — — US disclosed
US-8980890-B2 Compositions and methods of treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2015-03-17 — — US disclosed
WO-2008127728-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-10-23 — — WO disclosed
WO-2008002676-A9 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-07-03 — — WO disclosed
CN-101184734-A Compounds and methods for treating cell proliferation disorders KINEX PHARMACEUTICALS LLC (US) 2008-05-21 — — CN disclosed
WO-2008002676-A2 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 — — WO disclosed
US-7300931-B2 Compositions for treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2007-11-27 — — US disclosed
EP-1836169-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS Kinex Pharmaceuticals, LLC (US) 2007-09-26 — — EP disclosed
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-23 — — US disclosed
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-01-18 — — US disclosed
US-20060160800-A1 Morpholino-2-[6-(2-Ethoxy-phenyl)-pyridin-3-yl]-benzyl)-acetamide compound; as anti-proliferative agents, for treating mammals SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2006-07-20 — — US disclosed
WO-2006071960-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS, LLC (US) 2006-07-06 — — 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 (9 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-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K6, MAP3K8 ABCC4 3389/4885LMNA 2551/4885GAA 3806/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 ABCC4 4137/4885LMNA 1904/4885GAA 3570/4885
US-20060160800-A1 Morpholino-2-[6-(2-Ethoxy-phenyl)-pyridin-3-yl]-benzyl)-acetamide compound; as anti-proliferative agents, for treating mammals MKI67, PCNA, CCAR2 ABCC4 3632/4885LMNA 1629/4885GAA 1197/4885
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 ABCC4 4137/4885LMNA 1904/4885GAA 3570/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 ABCC4 4137/4885LMNA 1904/4885GAA 3570/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 ABCC4 3656/4885LMNA 1520/4885GAA 3401/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 ABCC4 4137/4885LMNA 1904/4885GAA 3570/4885
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS MKI67, CCNC, CCNA1 ABCC4 4311/4885LMNA 341/4885GAA 625/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 ABCC4 4311/4885LMNA 341/4885GAA 625/4885

“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.

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