SCHEMBL1559911

SCHEMBL1559911

CCOC(=O)Cn1cc(B(O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
JAK1 P23458 8/20 0.40
JAK2 O60674 5/20 0.40
TYK2 P29597 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
JAK3 P52333 1/20 0.39
MITF O75030 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PIN1 Q13526 1/20 0.38
PIN4 Q9Y237 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12124191 0.81 ALPI (0.49) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL1899263 0.81 JAK1 (0.39) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL14125781 0.78 GSK3A (0.44) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL14663783 0.78 SMN1; SMN2 (0.47) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL14149257 0.78 SMN1; SMN2 (0.44) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL12968057 0.78 GSK3A (0.44) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL14125630 0.78 GSK3A (0.44) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL18623452 0.78 GSK3A (0.44) GSK3AGSK3BJAK1JAK2TYK2
SCHEMBL29953111 0.77 HTT (0.37) JAK1TYK2
SCHEMBL14128008 0.77 GSK3A (0.42) GSK3AGSK3BJAK1JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2024-08-20 US disclosed
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
EP-3717471-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-05 EP disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
EP-3717471-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES Galapagos NV (BE) 2020-10-07 EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 GSK3A 252/4885GSK3B 208/4885JAK1 25/4885
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 GSK3A 252/4885GSK3B 208/4885JAK1 25/4885
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES F12, F3, COL1A1 GSK3A 252/4885GSK3B 208/4885JAK1 25/4885
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES JAK3, IFNG, IL23R GSK3A 333/4885GSK3B 249/4885JAK1 12/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3A 1688/4885GSK3B 1274/4885JAK1 735/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK GSK3A 3519/4885GSK3B 3456/4885JAK1 681/4885
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR GSK3A 3302/4885GSK3B 2682/4885JAK1 101/4885

“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.