SCHEMBL379113

SCHEMBL379113

CC(C)(C)[Si](C)(C)OCc1cccc(CBr)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CCR1 P32246 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.31
PREP P48147 1/20 0.31
DUT P33316 2/20 0.30

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
SCHEMBL29994742 1.00 KCNH2 (0.38) KCNH2CCR1IRAK4BACE1LMNA
SCHEMBL5466523 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1LMNA
SCHEMBL20416847 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1LMNAPREP
SCHEMBL20436590 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1LMNADUT
SCHEMBL4715736 0.83 KCNH2 (0.38) KCNH2CCR1IRAK4BACE1LMNA
SCHEMBL29529715 0.83 KCNH2 (0.38) KCNH2CCR1IRAK4BACE1LMNA
SCHEMBL537628 0.83 MBOAT4 (0.38) KCNH2IRAK4BACE1PREPDUT
SCHEMBL929267 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1LMNADUT
SCHEMBL15968790 0.81 MEN1 (0.39) KCNH2CCR1IRAK4BACE1
SCHEMBL28521511 0.81 IRAK4 (0.36) KCNH2IRAK4BACE1DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981669-A Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof 上海齐鲁制药研究中心有限公司 2023-10-31 CN disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-9302019-B2 Fe(II) sequestering agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-04-05 US disclosed
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW (US) 2014-03-13 US disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
EP-2134691-B1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 EP disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
EP-2134691-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 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 (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-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 KCNH2 3498/4885CCR1 385/4885IRAK4 4360/4885
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 KCNH2 3319/4885CCR1 4554/4885IRAK4 853/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KCNH2 2494/4885CCR1 1981/4885IRAK4 2294/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 KCNH2 3319/4885CCR1 4554/4885IRAK4 853/4885

“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.