SCHEMBL17153125

SCHEMBL17153125

COC(=O)CC1CN(Cc2cccc(Nc3nccc(-c4ccc(NCCCNC(=O)OC(C)(C)C)nc4)n3)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
SYK P43405 1/20 0.39
ULK1 O75385 2/20 0.38
ULK2 Q8IYT8 2/20 0.38
SIK2 Q9H0K1 2/20 0.38
STK17A Q9UEE5 2/20 0.38
STK17B O94768 1/20 0.38
TYK2 P29597 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
TBK1 Q9UHD2 8/20 0.38
NUAK1 O60285 1/20 0.38
MARK3 P27448 1/20 0.38
PRKAA2 P54646 1/20 0.38

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
SCHEMBL17153076 0.86 JAK2 (0.47) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17153012 0.86 JAK2 (0.48) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17152995 0.85 JAK2 (0.42) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL19847105 0.85 JAK2 (0.40) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17153119 0.84 JAK2 (0.40) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17152818 0.84 JAK2 (0.42) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17153004 0.84 JAK2 (0.41) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL18412531 0.83 JAK2 (0.39) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17152816 0.83 JAK2 (0.46) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17152814 0.83 JAK2 (0.40) JAK2JAK3ABL1PDGFRBBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 JAK2 2654/4885JAK3 3104/4885ABL1 3037/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 JAK2 2654/4885JAK3 3104/4885ABL1 3037/4885

“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.