SCHEMBL15547232

SCHEMBL15547232

O=C(Cn1cc(Nc2ncc(Cl)c(NCc3ccccc3)n2)cn1)N1CCC2(CC1)COC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.63
JAK1 P23458 7/20 0.51
JAK2 O60674 6/20 0.51
TTK P33981 3/20 0.51
TYK2 P29597 2/20 0.51
AURKA O14965 1/20 0.47
NTRK1 P04629 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL15546608 0.92 JAK3 (0.61) JAK3JAK1JAK2TTKTYK2
SCHEMBL16782469 0.90 JAK3 (0.77) JAK3JAK1JAK2TTKTYK2
SCHEMBL16812321 0.89 JAK3 (0.66) JAK3JAK1JAK2TTKTYK2
SCHEMBL19406491 0.88 JAK3 (0.65) JAK3JAK1JAK2TTKTYK2
SCHEMBL19417616 0.86 JAK3 (0.63) JAK3JAK1JAK2TTKTYK2
SCHEMBL15546244 0.86 JAK3 (0.63) JAK3JAK1JAK2TTKTYK2
SCHEMBL19406496 0.85 JAK3 (0.58) JAK3JAK1JAK2TTKTYK2
SCHEMBL15546726 0.85 JAK3 (0.62) JAK3JAK1JAK2TTKTYK2
SCHEMBL16782624 0.83 JAK3 (0.74) JAK3JAK1JAK2TTKTYK2
SCHEMBL15547137 0.82 JAK3 (0.59) JAK3JAK1JAK2TTKTYK2

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
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-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

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.