SCHEMBL15545646

SCHEMBL15545646

CS(=O)(=O)c1ccccc1CNc1nc(Nc2cnn(CCO)c2)ncc1Cl

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.64
JAK1 P23458 12/20 0.64
JAK2 O60674 12/20 0.64
TYK2 P29597 3/20 0.57
TTK P33981 2/20 0.57
ALK Q9UM73 1/20 0.51
FLT4 P35916 1/20 0.50
STAT6 P42226 1/20 0.49
AURKA O14965 1/20 0.49

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
SCHEMBL16782603 0.91 JAK3 (0.62) JAK3JAK1JAK2TYK2TTK
SCHEMBL16782466 0.90 JAK3 (0.65) JAK3JAK1JAK2TYK2ALK
SCHEMBL16782468 0.90 JAK3 (0.64) JAK3JAK1JAK2TYK2ALK
SCHEMBL15560951 0.88 JAK3 (0.70) JAK3JAK1JAK2TYK2STAT6
SCHEMBL15560706 0.88 JAK3 (0.65) JAK3JAK1JAK2TYK2STAT6
SCHEMBL15547080 0.87 JAK3 (0.61) JAK3JAK1JAK2TYK2ALK
SCHEMBL15545659 0.87 JAK3 (0.61) JAK3JAK1JAK2TYK2ALK
SCHEMBL15560314 0.86 JAK3 (0.63) JAK3JAK1JAK2TYK2ALK
SCHEMBL15548247 0.86 JAK1 (0.60) JAK3JAK1JAK2TYK2ALK
SCHEMBL16782598 0.86 JAK2 (0.72) JAK3JAK1JAK2TYK2TTK

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 25 patents — showing the first 20. 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 claimed
US-9655897-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2017-05-23 US claimed
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2016-06-30 US claimed
US-9296725-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2016-03-29 US claimed
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2015-06-18 US claimed
EP-2855451-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS Cellzome Limited (GB) 2015-04-08 EP claimed
WO-2013174895-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-11-28 WO claimed
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-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-2855470-A1 NOVEL BICYCLIC THIAZOLE COMPOUNDS Carna Biosciences Inc. (JP) 2015-04-08 EP disclosed
EP-2855451-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS Cellzome Limited (GB) 2015-04-08 EP disclosed
WO-2013176293-A1 NOVEL BICYCLIC THIAZOLE COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2013-11-28 WO 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 JAK3 15/4885JAK1 6/4885JAK2 10/4885
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors TYK2, TXK, IRAK1 JAK3 15/4885JAK1 6/4885JAK2 10/4885

“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.