SCHEMBL538210

SCHEMBL538210

CN1CCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 3/20 0.43
LTA4H P09960 2/20 0.43
DRD3 P35462 1/20 0.43
P2RY12 Q9H244 1/20 0.40
CXCR1 P25024 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRKDC P78527 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL10169195 0.92 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL538972 0.90 ALDH1A1 (0.51) MEN1KMT2AALDH1A1USP2SIGMAR1
SCHEMBL16815442 0.85 NPC1 (0.47) MEN1KMT2AALDH1A1SIGMAR1KDM4E
SCHEMBL17260434 0.84 HRH3 (0.53) ALDH1A1USP2SIGMAR1KDM4EHRH3
SCHEMBL1367081 0.80 LTA4H (0.52) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL31464835 0.79 CHKA (0.50) ALDH1A1
SCHEMBL20912200 0.79 SYK (0.34) HRH3
SCHEMBL16569199 0.79 CA12 (0.37) ALDH1A1HRH3SLC6A2SLC6A4
SCHEMBL16815281 0.77 KMT2A (0.39) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL24873949 0.77 LPL (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 67 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-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-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-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-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2017-07-13 US disclosed
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2017-07-13 US disclosed
US-7300931-B2 Compositions for treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2007-11-27 US disclosed
US-7300931-B2 Compositions for treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2007-11-27 US disclosed
US-7300931-B2 Compositions for treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2007-11-27 US 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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 MEN1 3706/4885KMT2A 1238/4885ALDH1A1 4221/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 MEN1 3058/4885KMT2A 1796/4885ALDH1A1 4492/4885
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 MEN1 1974/4885KMT2A 751/4885ALDH1A1 1111/4885
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 MEN1 3058/4885KMT2A 1796/4885ALDH1A1 4492/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 MEN1 3058/4885KMT2A 1796/4885ALDH1A1 4492/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 MEN1 2946/4885KMT2A 1783/4885ALDH1A1 4063/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 MEN1 3058/4885KMT2A 1796/4885ALDH1A1 4492/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 MEN1 614/4885KMT2A 2295/4885ALDH1A1 2075/4885

“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.