SCHEMBL255045

SCHEMBL255045

CCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
MCHR1 Q99705 1/20 0.37
HTR2A P28223 6/20 0.37
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
DYRK1A Q13627 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL258000 0.93 HTR2A (0.41) SRCHTR2ARAB9AATMFFAR4
SCHEMBL255227 0.93 SRC (0.48) SRCHTR2ARAB9AATMALDH1A1
SCHEMBL254596 0.90 SRC (0.39) SRCHTR2ARAB9AATMMAPT
SCHEMBL255225 0.89 SRC (0.46) SRCHTR2AMAPTLMNAALDH1A1
SCHEMBL254712 0.87 SRC (0.53) SRCRAB9AAURKAAURKBLMNA
SCHEMBL254945 0.87 SRC (0.43) SRCMCHR1HTR2AMAPTALDH1A1
SCHEMBL254618 0.85 RAB9A (0.39) SRCHTR2ARAB9AATMMAPT
SCHEMBL258002 0.84 HTR2A (0.41) SRCHTR2ARAB9AATMFFAR4
SCHEMBL254595 0.83 SRC (0.46) SRCHTR2ARAB9AATMLMNA
SCHEMBL10297880 0.83 SRC (0.43) SRCHTR2AMAPTLMNAABCB11

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 35 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-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-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-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-20110065705-A1 Compositions and Methods of Treating Cell Proliferation Disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2011-03-17 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
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 (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 SRC 116/4885MCHR1 4395/4885HTR2A 2478/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 SRC 76/4885MCHR1 4409/4885HTR2A 3446/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885MCHR1 4409/4885HTR2A 3446/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 SRC 112/4885MCHR1 4397/4885HTR2A 3347/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885MCHR1 4409/4885HTR2A 3446/4885
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS MKI67, CCNC, CCNA1 SRC 430/4885MCHR1 3031/4885HTR2A 3566/4885
US-20110065705-A1 Compositions and Methods of Treating Cell Proliferation Disorders MKI67, CCNC, CCNA1 SRC 430/4885MCHR1 3031/4885HTR2A 3566/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 SRC 430/4885MCHR1 3031/4885HTR2A 3566/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 SRC 112/4885MCHR1 4397/4885HTR2A 3347/4885

“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.