SCHEMBL5049818

SCHEMBL5049818

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.76
KMT5A Q9NQR1 12/20 0.71
EHMT2 Q96KQ7 6/20 0.62
EHMT1 Q9H9B1 1/20 0.61

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
SCHEMBL25361990 0.88 KMT5A (0.62) WHR1KMT5AEHMT2EHMT1
SCHEMBL5049937 0.88 WHR1 (0.71) WHR1KMT5AEHMT2
SCHEMBL29385210 0.88 WHR1 (0.71) WHR1KMT5AEHMT2
SCHEMBL22144630 0.86 WHR1 (1.00) WHR1KMT5AEHMT2EHMT1
SCHEMBL25361551 0.83 KMT5A (0.71) WHR1KMT5A
SCHEMBL25360225 0.82 KMT5A (0.70) WHR1KMT5A
SCHEMBL25430396 0.81 EHMT2 (0.62) WHR1KMT5AEHMT2EHMT1
SCHEMBL30546999 0.81 EHMT2 (0.62) WHR1KMT5AEHMT2EHMT1
SCHEMBL25359230 0.81 EHMT2 (0.62) WHR1KMT5AEHMT2EHMT1
SCHEMBL25432549 0.78 KMT5A (0.64) WHR1KMT5AEHMT2EHMT1

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 15 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
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 698/4885EHMT2 1746/4885
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 WHR1 3876/4885KMT5A 698/4885EHMT2 1746/4885
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, TLR3, TLR9 WHR1 2359/4885KMT5A 1586/4885EHMT2 3166/4885
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES TLR3, EIF2AK2, STING1 WHR1 1687/4885KMT5A 3765/4885EHMT2 1684/4885

“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.