SCHEMBL17153255

SCHEMBL17153255

Nc1ccc(-c2ccnc(Nc3cccc(C4OCCO4)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.51
BCR P11274 9/20 0.51
SRC P12931 4/20 0.51
EGFR P00533 3/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
CDK5 Q00535 1/20 0.46
PRKCA P17252 4/20 0.46
PRKCD Q05655 2/20 0.46
CAMK2D Q13557 3/20 0.45
PIK3CG P48736 4/20 0.44
MAPK8 P45983 2/20 0.44
GSK3B P49841 2/20 0.44
CAMKK2 Q96RR4 2/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 1/20 0.43
ABL2 P42684 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL17152829 0.88 ABL1 (0.51) ABL1BCRSRCEGFRPRKACA
SCHEMBL4384844 0.77 JAK2 (0.63) JAK2JAK3
SCHEMBL19847132 0.77 ABL1 (0.56) ABL1BCRSRCEGFRPRKACA
SCHEMBL1938199 0.72 TBK1 (0.42) EGFR
SCHEMBL23275803 0.70 JAK2 (0.57) JAK2JAK3
SCHEMBL29713621 0.70 JAK2 (0.57) JAK2JAK3
SCHEMBL20363185 0.69 JAK2 (0.56) ABL1BCRSRCEGFRPRKACA
SCHEMBL2534029 0.69 KIF11 (0.49) PIK3CA
SCHEMBL19847213 0.69 JAK2 (0.57) ABL1BCRSRCEGFRPRKACA
SCHEMBL2944432 0.68 ABL1 (0.82) ABL1BCRSRCEGFRPRKACA

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 3 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
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP 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 (1 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-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 ABL1 3037/4885BCR 4756/4885SRC 3470/4885

“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.