SCHEMBL17153142

SCHEMBL17153142

COC(=O)CN(C)CCCN(C)c1ccc(-c2ccnc(Nc3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
JAK3 P52333 4/20 0.46
TBK1 Q9UHD2 14/20 0.44
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
SYK P43405 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL17153109 0.90 JAK2 (0.46) JAK2JAK3TBK1ABL1PDGFRB
SCHEMBL18412532 0.84 JAK2 (0.46) JAK2JAK3TBK1ABL1PDGFRB
SCHEMBL17153013 0.83 JAK2 (0.47) JAK2JAK3TBK1ABL1PDGFRB
SCHEMBL17153026 0.83 CDC7 (0.44) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17152997 0.82 JAK2 (0.47) JAK2JAK3TBK1ABL1PDGFRB
SCHEMBL17153003 0.82 JAK3 (0.40) JAK2JAK3TBK1ABL1PDGFRB
SCHEMBL17153272 0.82 TBK1 (0.44) JAK2JAK3TBK1CCNT1CCNA2
SCHEMBL17153141 0.81 JAK2 (0.44) JAK2JAK3TBK1ABL1PDGFRB
SCHEMBL17152768 0.81 JAK2 (0.49) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL17152821 0.81 JAK2 (0.41) 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 3104/4885TBK1 296/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 JAK2 2654/4885JAK3 3104/4885TBK1 296/4885

“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.