SCHEMBL4715736

SCHEMBL4715736

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
BACE1 P56817 1/20 0.35
CCR1 P32246 1/20 0.34
ADORA2A P29274 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
RXRA P19793 1/20 0.31
LMNA P02545 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
TACR1 P25103 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
DUT P33316 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 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
SCHEMBL29529715 1.00 KCNH2 (0.38) KCNH2IRAK4BACE1CCR1ADORA2A
SCHEMBL4714046 0.87 KCNH2 (0.36) KCNH2IRAK4BACE1NPSR1PGK1
SCHEMBL20416847 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1ADORA2ANPSR1
SCHEMBL20436590 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1NPSR1GRIN1
SCHEMBL5466523 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1LMNAHRH4
SCHEMBL29994742 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1CCR1LMNA
SCHEMBL379113 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1CCR1LMNA
SCHEMBL929267 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1GRIN1GRIN2B
SCHEMBL20416619 0.81 IRAK4 (0.34) KCNH2IRAK4BACE1TRPV3
SCHEMBL15968790 0.81 MEN1 (0.39) KCNH2IRAK4BACE1CCR1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
CN-113748110-B Substituted pyrimidine or pyridine amine derivatives, compositions thereof and pharmaceutical use thereof 上海海雁医药科技有限公司 2024-05-14 CN disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 EP disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 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
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-20220144808-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2022-05-12 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-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
EP-2511260-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT Gifu University (JP) 2012-10-17 EP disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 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 (7 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-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT NSUN2, SLCO2A1, ABCB7 KCNH2 1341/4885IRAK4 2514/4885BACE1 3420/4885
US-20220144808-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 KCNH2 4207/4885IRAK4 759/4885BACE1 4667/4885
US-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 KCNH2 3498/4885IRAK4 4360/4885BACE1 4390/4885
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 KCNH2 311/4885IRAK4 1806/4885BACE1 91/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 KCNH2 3347/4885IRAK4 617/4885BACE1 4011/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KCNH2 2494/4885IRAK4 2294/4885BACE1 2955/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 KCNH2 2426/4885IRAK4 2044/4885BACE1 2701/4885

“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.