SCHEMBL5049937

SCHEMBL5049937

COc1cc2nc(N3CCN(c4ccccc4)CC3)nc(NCCN(C)C)c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.71
KMT5A Q9NQR1 13/20 0.66
DNMT3A Q9Y6K1 2/20 0.59
EHMT2 Q96KQ7 3/20 0.53
KDM1A O60341 2/20 0.53
RCOR1 Q9UKL0 2/20 0.53

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
SCHEMBL29385210 1.00 WHR1 (0.71) WHR1KMT5ADNMT3AEHMT2KDM1A
SCHEMBL5049818 0.88 WHR1 (0.76) WHR1KMT5AEHMT2
SCHEMBL22144630 0.83 WHR1 (1.00) WHR1KMT5AEHMT2
SCHEMBL25361551 0.80 KMT5A (0.71) WHR1KMT5A
SCHEMBL25360225 0.79 KMT5A (0.70) WHR1KMT5A
SCHEMBL30197751 0.79 EHMT2 (0.64) KMT5ADNMT3AEHMT2KDM1ARCOR1
SCHEMBL18103392 0.79 EHMT2 (0.64) KMT5ADNMT3AEHMT2KDM1ARCOR1
SCHEMBL25361990 0.77 KMT5A (0.62) WHR1KMT5AEHMT2
SCHEMBL18095981 0.77 DNMT3A (0.59) WHR1KMT5ADNMT3AEHMT2KDM1A
SCHEMBL14095306 0.76 ADRA1A (0.68)

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
WO-2021028439-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2021-02-18 WO 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 WHR1 3876/4885KMT5A 698/4885DNMT3A 915/4885
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 WHR1 3876/4885KMT5A 698/4885DNMT3A 915/4885
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, TLR3, TLR9 WHR1 2359/4885KMT5A 1586/4885DNMT3A 1040/4885
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES TLR3, EIF2AK2, STING1 WHR1 1687/4885KMT5A 3765/4885DNMT3A 1762/4885

“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.