SCHEMBL2810140

SCHEMBL2810140

CCN1CCN(CCOc2ccc(Br)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
LTA4H P09960 1/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 1/20 0.47
NSD2 O96028 1/20 0.46
NSD3 Q9BZ95 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL538363 0.90 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4ELTA4H
SCHEMBL538618 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4ELTA4H
SCHEMBL13167915 0.83 LTA4H (0.52) ALDH1A1KDM4ELTA4HNSD2NSD3
SCHEMBL3573539 0.79 HRH3 (0.59) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2482331 0.77 NSD2 (0.45) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL9931761 0.77 NSD2 (0.45) MEN1KMT2AL3MBTL1LTA4HMAPK1
SCHEMBL28826913 0.77 HRH3 (0.53) ALDH1A1MEN1KMT2ALTA4HHRH3
SCHEMBL17260396 0.77 HRH3 (0.59) ALDH1A1KDM4EMAPK1HRH3SMN1; SMN2
SCHEMBL10169195 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL25262768 0.75 NSD2 (0.43) ALDH1A1MEN1KMT2AKDM4ELTA4H

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 4 patents. 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-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2019-02-05 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

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

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 4221/4885MEN1 3706/4885KMT2A 1238/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 ALDH1A1 4063/4885MEN1 2946/4885KMT2A 1783/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 ALDH1A1 4063/4885MEN1 2946/4885KMT2A 1783/4885

“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.