SCHEMBL17153127

SCHEMBL17153127

CN(CCCN(C)c1ncc(-c2ccnc(Nc3cccc(CO)c3)n2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
ABL1 P00519 13/20 0.41
BCR P11274 11/20 0.41
SRC P12931 4/20 0.41
EPHB4 P54760 1/20 0.40
PRKCA P17252 4/20 0.40
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
PRKCD Q05655 2/20 0.40
JAK2 O60674 1/20 0.39
FLT3 P36888 1/20 0.39
EGFR P00533 2/20 0.37
SYK P43405 2/20 0.37
PTK2 Q05397 1/20 0.37
MAPK8 P45983 1/20 0.37
PIK3CG P48736 1/20 0.37
GSK3B P49841 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL17153126 0.93 CDC7 (0.41) CDC7CDK19ABL1BCRSRC
SCHEMBL17153054 0.91 CDK19 (0.43) CDC7CDK19ABL1BCRSRC
SCHEMBL17153242 0.90 CDK19 (0.39) CDC7CDK19ABL1BCRSRC
SCHEMBL17152801 0.87 CDC7 (0.43) CDC7CDK19ABL1BCRSRC
SCHEMBL17152832 0.86 JAK2 (0.45) CDC7CDK19ABL1BCRSRC
SCHEMBL17153115 0.86 CDK19 (0.44) CDC7CDK19ABL1BCRSRC
SCHEMBL17153113 0.86 CDK1 (0.45) CDC7CDK19ABL1BCRSRC
SCHEMBL17153046 0.82 CDC7 (0.36) CDC7CDK19ABL1BCRSRC
SCHEMBL17153086 0.81 JAK2 (0.40) CDC7CDK19ABL1BCRSRC
SCHEMBL17152981 0.81 IKBKB (0.40) CDC7CDK19ABL1BCRSRC

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 CDC7 1539/4885CDK19 979/4885ABL1 3037/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 CDC7 1539/4885CDK19 979/4885ABL1 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.