SCHEMBL5043373

SCHEMBL5043373

CN1CCc2c1nc1ccc(Br)cc1c2N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.67
ALDH1A1 P00352 8/20 0.67
LMNA P02545 6/20 0.67
MITF O75030 1/20 0.67
ALPG P10696 1/20 0.67
RAD52 P43351 1/20 0.65
KMT2A Q03164 6/20 0.64
MAPT P10636 6/20 0.64
MEN1 O00255 4/20 0.62
HPGD P15428 4/20 0.62
HTT P42858 2/20 0.62
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPSR1 Q6W5P4 3/20 0.57
MAPK1 P28482 2/20 0.57
BCHE P06276 5/20 0.55
ACHE P22303 5/20 0.55
GRIN1 Q05586 5/20 0.55
GRIN2A Q12879 5/20 0.55
TSHR P16473 3/20 0.48

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
SCHEMBL5049423 0.84 RAD52 (0.88) KDM4EALDH1A1LMNAMITFALPG
SCHEMBL5047155 0.80 KDM4E (0.68) KDM4EALDH1A1LMNARAD52KMT2A
SCHEMBL5578267 0.78 KDM4E (1.00) KDM4EALDH1A1LMNAMITFALPG
Hydrochloric Acid SCHEMBL5578125 0.77 KDM4E (0.79) KDM4EALDH1A1LMNAMITFALPG
Hydrochloric Acid SCHEMBL5578128 0.76 KDM4E (0.65) KDM4EALDH1A1LMNAMITFALPG
SCHEMBL5578341 0.75 KDM4E (0.81) KDM4EALDH1A1LMNAMITFALPG
Hydrochloric Acid SCHEMBL5578010 0.75 KDM4E (0.74) KDM4EALDH1A1LMNAMITFALPG
Hydrochloric Acid SCHEMBL5578269 0.75 KDM4E (0.74) KDM4EALDH1A1LMNAMITFALPG
Hydrochloric Acid SCHEMBL5578330 0.74 KDM4E (0.73) KDM4EALDH1A1LMNAMITFALPG
Hydrochloric Acid SCHEMBL5579198 0.73 KDM4E (0.85) KDM4EALDH1A1LMNAMITFALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2017-12-14 US claimed
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 EP claimed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 WO claimed
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2022-09-22 US disclosed
EP-4013880-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CureVac AG (DE) 2022-06-22 EP disclosed
CN-114502204-A RNA combinations and compositions with reduced immunostimulatory properties 库尔维科公司 2022-05-13 CN disclosed
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2017-12-14 US disclosed
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 EP disclosed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 WO disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20050119273-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2005-06-02 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 (4 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-20050119273-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 KDM4E 1460/4885ALDH1A1 4582/4885LMNA 4318/4885
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 KDM4E 1460/4885ALDH1A1 4582/4885LMNA 4318/4885
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, TLR3, TLR9 KDM4E 1626/4885ALDH1A1 4770/4885LMNA 2680/4885
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES TLR3, EIF2AK2, STING1 KDM4E 3664/4885ALDH1A1 4395/4885LMNA 2891/4885

“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.