SCHEMBL17153003

SCHEMBL17153003

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.40
JAK2 O60674 5/20 0.40
ABL1 P00519 3/20 0.38
BCR P11274 2/20 0.38
PDGFRB P09619 2/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
SYK P43405 1/20 0.38
TBK1 Q9UHD2 7/20 0.35
CDC7 O00311 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
ACVR1 Q04771 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
CCR3 P51677 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL17153107 0.96 JAK3 (0.41) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17153090 0.91 JAK3 (0.41) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17152977 0.88 JAK2 (0.40) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17153109 0.87 JAK2 (0.46) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL18412530 0.87 JAK3 (0.41) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL18412532 0.86 JAK2 (0.46) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17153241 0.86 JAK2 (0.39) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17152997 0.85 JAK2 (0.47) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17152996 0.84 JAK2 (0.39) JAK3JAK2ABL1BCRPDGFRB
SCHEMBL17152821 0.84 JAK2 (0.41) JAK3JAK2ABL1BCRPDGFRB

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 JAK3 3104/4885JAK2 2654/4885ABL1 3037/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 JAK3 3104/4885JAK2 2654/4885ABL1 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.