SCHEMBL254626

SCHEMBL254626

O=C(Cc1ncc(-c2ccc(CN3CCOCC3)cc2F)cn1)NCc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.56
CHRM3 P20309 2/20 0.46
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.43
PDE4B Q07343 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HTR2C P28335 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPK1 P28482 1/20 0.42
ABL1 P00519 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
LYN P07948 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
SCHEMBL11917484 0.93 ALDH1A1 (0.50) SRCCHRM3RAB9AALDH1A1NPC1
SCHEMBL12782454 0.92 SRC (0.47) SRCCHRM3ALDH1A1SMN1; SMN2JAK2
SCHEMBL254904 0.90 SRC (0.69) SRCCHRM3RAB9AALDH1A1NPC1
SCHEMBL253544 0.89 SRC (0.56) SRCCHRM3RAB9AALDH1A1NPC1
SCHEMBL254389 0.89 SRC (0.54) SRCCHRM3RAB9AALDH1A1NPC1
SCHEMBL11917500 0.87 SRC (0.53) SRCCHRM3RAB9AALDH1A1NPC1
SCHEMBL11917482 0.86 SRC (0.70) SRCABL1TUBB4ATUBBLYN
SCHEMBL12782429 0.83 SRC (0.59) SRCCHRM3SMN1; SMN2JAK2JAK1
SCHEMBL254286 0.82 SRC (0.58) SRCRAB9AALDH1A1NPC1TP53
SCHEMBL254101 0.82 SRC (0.62) SRCRAB9AALDH1A1NPC1TP53

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 43 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 116/4885CHRM3 3007/4885RAB9A 3249/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 SRC 76/4885CHRM3 3961/4885RAB9A 2334/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885CHRM3 3961/4885RAB9A 2334/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 SRC 112/4885CHRM3 3753/4885RAB9A 2244/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 SRC 76/4885CHRM3 3961/4885RAB9A 2334/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 SRC 430/4885CHRM3 4863/4885RAB9A 2947/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 SRC 112/4885CHRM3 3753/4885RAB9A 2244/4885

“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.