SCHEMBL15533833

SCHEMBL15533833

Cc1cnc(Cl)nc1NCc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CHRM3 P20309 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
STIM1 Q13586 4/20 0.40
ORAI1 Q96D31 4/20 0.40
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
DYRK3 O43781 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK4 Q9NR20 1/20 0.39

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
SCHEMBL22272084 0.89 JAK3 (0.44) JAK2JAK1JAK3LCKBTK
SCHEMBL12515566 0.84 MEN1 (0.47) POLBALDH1A1L3MBTL1TP53GAA
SCHEMBL5912776 0.83 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL5912780 0.83 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL5912331 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL19417731 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1STIM1ORAI1CLK1
SCHEMBL5912149 0.80 BTK (0.45) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL19675773 0.80 NTRK1 (0.51) DYRK1ADYRK1BCLK2CLK4JAK2
SCHEMBL29608147 0.80 NTRK1 (0.51) DYRK1ADYRK1BCLK2CLK4JAK2
SCHEMBL29695608 0.78 MEN1 (0.46) POLBALDH1A1TP53GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855451-B1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS CELLZOME LTD (GB) 2017-10-04 EP disclosed
EP-2855451-B1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS CELLZOME LTD (GB) 2017-10-04 EP disclosed
US-9655897-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2017-05-23 US disclosed
US-9655897-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2017-05-23 US disclosed
US-9655897-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2017-05-23 US disclosed
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2016-06-30 US disclosed
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2016-06-30 US disclosed
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2016-06-30 US disclosed
US-9296725-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2016-03-29 US disclosed
US-9296725-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2016-03-29 US disclosed
US-9296725-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2016-03-29 US disclosed
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2015-06-18 US disclosed
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2015-06-18 US disclosed
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2015-06-18 US disclosed
EP-2855451-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS Cellzome Limited (GB) 2015-04-08 EP disclosed
WO-2013174895-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-11-28 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 (2 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-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors TYK2, TXK, IRAK1 PDE4A 3398/4885PDE4B 3378/4885PDE4C 3477/4885
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors TYK2, TXK, IRAK1 PDE4A 3398/4885PDE4B 3378/4885PDE4C 3477/4885

“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.