SCHEMBL17526046

SCHEMBL17526046

CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5)cc4)n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 1.00
AURKA O14965 8/20 0.69
FLT3 P36888 1/20 0.67
BTK Q06187 1/20 0.67
ALK Q9UM73 1/20 0.63
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
AURKB Q96GD4 2/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
LCK P06239 1/20 0.59
KDR P35968 1/20 0.59
MAPK14 Q16539 1/20 0.59
EGFR P00533 2/20 0.59
JAK2 O60674 1/20 0.58

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
SCHEMBL28876191 0.89 BRD4 (0.79) BRD4AURKAFLT3BTKALK
SCHEMBL29514718 0.88 BRD4 (0.78) BRD4AURKAFLT3BTKALK
SCHEMBL28698547 0.88 BRD4 (0.78) BRD4AURKAFLT3BTKALK
SCHEMBL31684795 0.87 BRD4 (0.77) BRD4AURKAFLT3BTKALK
SCHEMBL28980987 0.87 BRD4 (0.77) BRD4AURKAFLT3BTKALK
SCHEMBL31163110 0.85 BRD4 (0.79) BRD4FLT3NPC1RAB9AJAK2
SCHEMBL17526187 0.85 BRD4 (1.00) BRD4AURKAFLT3BTKAURKB
SCHEMBL17526137 0.85 BRD4 (0.76) BRD4AURKAAURKBGSK3AGSK3B
SCHEMBL29390384 0.85 BRD4 (0.73) BRD4FLT3BTKALKEGFR
SCHEMBL28711724 0.85 BRD4 (0.73) BRD4FLT3BTKALKEGFR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 US disclosed
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 US disclosed
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-02-21 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 WO disclosed
WO-2016022460-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-02-11 WO 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 (5 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-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT BRD4 1/4885AURKA 107/4885FLT3 980/4885
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT BRD4 1/4885AURKA 107/4885FLT3 980/4885
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT BRD4 1/4885AURKA 102/4885FLT3 724/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT BRD4 1/4885AURKA 107/4885FLT3 980/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT BRD4 1/4885AURKA 102/4885FLT3 724/4885

“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.