SCHEMBL254591

SCHEMBL254591

O=C(Cc1ccc(-c2ccncc2)cc1)NCc1cccc(F)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.79
RAB9A P51151 2/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 1/20 0.58
ROCK2 O75116 4/20 0.58
CDC7 O00311 1/20 0.58
MAP4K4 O95819 1/20 0.58
PIM1 P11309 1/20 0.58
CDK2 P24941 1/20 0.58
GSK3B P49841 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
LMNA P02545 2/20 0.56
ROCK1 Q13464 4/20 0.55
PRKACA P17612 1/20 0.54
AURKA O14965 1/20 0.53
DGAT2 Q96PD7 1/20 0.51
WNT3A P56704 2/20 0.50

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
SCHEMBL538601 0.89 SRC (0.87) SRCRAB9AMAPK1ALDH1A1GAA
SCHEMBL255221 0.88 SRC (1.00) SRCRAB9AMAPK1ALDH1A1LMNA
SCHEMBL254938 0.88 SRC (0.90) SRCRAB9AMAPK1ALDH1A1GAA
SCHEMBL254477 0.88 SRC (0.76) SRCRAB9AMAPK1ALDH1A1GAA
SCHEMBL12782352 0.85 ALDH1A1 (0.58) SRCALDH1A1GAAMAPTROCK2
SCHEMBL254323 0.83 SRC (0.72) SRCRAB9AMAPK1ALDH1A1GAA
SCHEMBL28229572 0.83 SRC (0.90) SRCRAB9AMAPK1ALDH1A1GAA
SCHEMBL15912208 0.82 SRC (0.75) SRCRAB9AMAPK1ALDH1A1GAA
SCHEMBL16572072 0.82 SRC (0.79) SRCRAB9AMAPK1ALDH1A1CLK4
SCHEMBL2810721 0.81 SRC (0.73) SRCRAB9AMAPK1ALDH1A1GAA

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 45 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
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
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 SRC 116/4885RAB9A 3249/4885MAPK1 171/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885MAPK1 158/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885MAPK1 158/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 SRC 112/4885RAB9A 2244/4885MAPK1 101/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885MAPK1 158/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 SRC 430/4885RAB9A 2947/4885MAPK1 920/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 SRC 112/4885RAB9A 2244/4885MAPK1 101/4885

“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.