SCHEMBL254389

SCHEMBL254389

O=C(Cc1cnc(-c2ccc(CN3CCOCC3)cc2F)nc1)NCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.54
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HTR2C P28335 1/20 0.45
MCHR1 Q99705 1/20 0.45
SIGMAR1 Q99720 4/20 0.45
CHRM3 P20309 2/20 0.45
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL254561 0.92 ALDH1A1 (0.54) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12782469 0.91 LMNA (0.47) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL11917500 0.91 SRC (0.53) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13553566 0.90 CHRM3 (0.55) SRCSIGMAR1CHRM3KLKB1KLK1
SCHEMBL254626 0.89 SRC (0.56) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL253544 0.88 SRC (0.56) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL254904 0.88 SRC (0.69) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL15912204 0.87 SRC (0.61) SRCRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL254558 0.85 SRC (0.69) SRC
SCHEMBL254286 0.85 SRC (0.58) SRCRAB9ANPC1ALDH1A1SMN1; SMN2

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 40 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
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-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-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 (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 SRC 116/4885RAB9A 3249/4885NPC1 3031/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885NPC1 2695/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885NPC1 2695/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 SRC 112/4885RAB9A 2244/4885NPC1 2290/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885RAB9A 2334/4885NPC1 2695/4885
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS MKI67, CCNC, CCNA1 SRC 430/4885RAB9A 2947/4885NPC1 1133/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 SRC 430/4885RAB9A 2947/4885NPC1 1133/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 SRC 112/4885RAB9A 2244/4885NPC1 2290/4885

“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.