SCHEMBL17153272

SCHEMBL17153272

COC(=O)CN(CCCNc1ccc(-c2ccnc(Nc3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.44
JAK2 O60674 4/20 0.43
JAK3 P52333 4/20 0.43
DYRK2 Q92630 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL17153141 0.96 JAK2 (0.44) TBK1JAK2JAK3DYRK2CCNT1
SCHEMBL17153168 0.88 PRKCA (0.43) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL17152843 0.84 PRKCA (0.42) CCNT1CCNA2CDK2CDK9
SCHEMBL17152844 0.83 PRKCA (0.44) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL17153233 0.82 JAK2 (0.44) TBK1JAK2JAK3
SCHEMBL17153142 0.82 JAK2 (0.46) TBK1JAK2JAK3CCNT1CCNA2
SCHEMBL17153005 0.81 BTK (0.41) JAK2JAK3
SCHEMBL18412554 0.80 PRKCA (0.42) JAK2JAK3CCNT1CCNA2CDK2
SCHEMBL17153109 0.80 JAK2 (0.46) TBK1JAK2JAK3CCNT1CCNA2
SCHEMBL17153076 0.79 JAK2 (0.47) TBK1JAK2JAK3CCNT1CCNA2

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 TBK1 296/4885JAK2 2654/4885JAK3 3104/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 TBK1 296/4885JAK2 2654/4885JAK3 3104/4885

“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.