SCHEMBL100408

SCHEMBL100408

CCOC(OCC)c1cc(Br)cs1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL27005634 0.81 TOP2A (0.32)
SCHEMBL6696769 0.80 DAO (0.31)
SCHEMBL5957191 0.77 TUBB4A (0.32)
SCHEMBL99567 0.74 ACHE (0.34) BCHEACHEPTGS2
SCHEMBL27870429 0.69
SCHEMBL9967707 0.69
SCHEMBL101641 0.69 FDPS (0.35) BCHEACHEPTGS2
SCHEMBL101642 0.69 FDPS (0.35) BCHEACHEPTGS2
SCHEMBL2475342 0.68 WRN (0.33) BCHEACHEPTGS2
SCHEMBL10531121 0.67 GSK3B (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620940-B Preparation of near-infrared absorption amphiphilic diaryl alkene photochromic molecules and application of amphiphilic diaryl alkene photochromic molecules in reversible photothermal and photoacoustic applications 北京化工大学 2023-12-15 CN claimed
CN-113620940-A Preparation of near-infrared absorbing amphiphilic diarylethene photochromic molecules and application of reversible photo-thermal and photo-acoustic molecules 北京化工大学 2021-11-09 CN claimed
CN-113620940-B Preparation of near-infrared absorption amphiphilic diaryl alkene photochromic molecules and application of amphiphilic diaryl alkene photochromic molecules in reversible photothermal and photoacoustic applications 北京化工大学 2023-12-15 CN disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
CN-113620940-A Preparation of near-infrared absorbing amphiphilic diarylethene photochromic molecules and application of reversible photo-thermal and photo-acoustic molecules 北京化工大学 2021-11-09 CN disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-20060293343-A1 Pyrimidine derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-12-28 US disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 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 (8 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-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BCHE 4718/4885ACHE 4875/4885PTGS2 915/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BCHE 4718/4885ACHE 4875/4885PTGS2 915/4885
US-20060293343-A1 Pyrimidine derivatives PDE4A, PDE4B, PDE5A BCHE 1749/4885ACHE 680/4885PTGS2 999/4885
US-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 BCHE 277/4885ACHE 484/4885PTGS2 1070/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 BCHE 4723/4885ACHE 4867/4885PTGS2 1385/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 BCHE 4718/4885ACHE 4875/4885PTGS2 915/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 BCHE 4718/4885ACHE 4875/4885PTGS2 915/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 BCHE 277/4885ACHE 484/4885PTGS2 1070/4885

“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.