SCHEMBL254391

SCHEMBL254391

CN1CCN(CCOc2ncc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.47
HTR7 P34969 7/20 0.47
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TUBB4A P04350 5/20 0.41
TUBB P07437 5/20 0.41
TUBA3C P0DPH7 5/20 0.41
TUBA1B P68363 5/20 0.41
TUBA4A P68366 5/20 0.41
TUBB4B P68371 5/20 0.41
TUBB3 Q13509 5/20 0.41
TUBB2A Q13885 5/20 0.41
TUBB8 Q3ZCM7 5/20 0.41
TUBA3E Q6PEY2 5/20 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
SCHEMBL11917517 0.92 HTR1A (0.41) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL14143492 0.91 POLB (0.45) HTR1AHTR7POLBKMT2AMEN1
SCHEMBL255070 0.90 SRC (0.41) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL253945 0.90 TUBB4A (0.49) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL11917513 0.90 SRC (0.42) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL254086 0.90 ROCK1 (0.40) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL12782513 0.90 SRC (0.40) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL12782537 0.89 ROCK1 (0.38) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL254081 0.89 SRC (0.39) HTR1AHTR7TUBB4ATUBBTUBA3C
SCHEMBL12782539 0.88 SRC (0.39) HTR1AHTR7TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2558085-B1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER ATHENEX INC (US) 2017-08-30 EP 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-9655903-B2 Compositions and methods of treating cell proliferation disorders ATHENEX, INC. (US) 2017-05-23 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
US-9580387-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2017-02-28 US disclosed
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2010-09-30 US disclosed
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2010-09-30 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-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
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-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

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

For each of this compound's patents that has machine-readable text (7 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 HTR1A 3477/4885HTR7 2321/4885POLB 2104/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 HTR1A 4130/4885HTR7 3413/4885POLB 1628/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 HTR1A 4130/4885HTR7 3413/4885POLB 1628/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 HTR1A 4053/4885HTR7 3429/4885POLB 1192/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 HTR1A 4130/4885HTR7 3413/4885POLB 1628/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 HTR1A 3859/4885HTR7 4007/4885POLB 692/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 HTR1A 4053/4885HTR7 3429/4885POLB 1192/4885

“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.