SCHEMBL17153000

SCHEMBL17153000

COC(=O)C1CN(CC(=O)OC(C)(C)C)CCN1Cc1cccc(Nc2nccc(-c3ccc(N(C)CCCN(C)C(=O)OC(C)(C)C)nc3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.39
JAK3 P52333 4/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABL1 P00519 3/20 0.35
BCR P11274 3/20 0.35
SRC P12931 2/20 0.35
SYK P43405 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ACVR1 Q04771 1/20 0.34
AIMP2 Q13155 1/20 0.34
CDC7 O00311 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
FLT3 P36888 1/20 0.33
BTK Q06187 3/20 0.33
STK17A Q9UEE5 1/20 0.32
ZAP70 P43403 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNT1 O60563 1/20 0.32

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
SCHEMBL18412529 0.92 JAK2 (0.40) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL17152996 0.91 JAK2 (0.39) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL18412532 0.90 JAK2 (0.46) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL17153090 0.88 JAK3 (0.41) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL17152997 0.88 JAK2 (0.47) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL17153241 0.87 JAK2 (0.39) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL17153020 0.85 JAK2 (0.41) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL18412530 0.84 JAK3 (0.41) JAK2JAK3ABL1BCRSRC
SCHEMBL19847112 0.84 JAK2 (0.39) JAK2JAK3HDAC1HDAC6ABL1
SCHEMBL17153109 0.83 JAK2 (0.46) JAK2JAK3ABL1BCRSRC

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 3104/4885HDAC1 3644/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 JAK2 2654/4885JAK3 3104/4885HDAC1 3644/4885

“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.