SCHEMBL17153105

SCHEMBL17153105

CNCCCN(C)c1ccc(-c2ccnc(Nc3cncc(CN4CCN(CC(=O)O)CC4)c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.41
BCR P11274 6/20 0.41
PDGFRB P09619 2/20 0.41
SRC P12931 2/20 0.41
PDGFRA P16234 2/20 0.41
SYK P43405 2/20 0.41
ACVR1 Q04771 1/20 0.40
JAK2 O60674 8/20 0.40
JAK3 P52333 7/20 0.40
KIT P10721 6/20 0.39
ABL2 P42684 3/20 0.39
PLK4 O00444 1/20 0.39
DDX3X O00571 1/20 0.39
GAK O14976 1/20 0.39
SLC22A2 O15244 1/20 0.39
MAPK13 O15264 1/20 0.39
CA12 O43570 1/20 0.39
SLC22A3 O75751 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL17153029 0.91 JAK2 (0.51) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17152964 0.90 KDR (0.47) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17152959 0.90 STAT6 (0.43) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17153022 0.89 JAK2 (0.52) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL18412513 0.89 JAK2 (0.50) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17153243 0.89 CDC7 (0.41) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17153061 0.85 ABL1 (0.51) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17153219 0.85 ACVR1 (0.39) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL17153019 0.84 ACVR1 (0.39) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL18412516 0.84 ACVR1 (0.39) ABL1BCRPDGFRBSRCPDGFRA

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 4756/4885PDGFRB 1122/4885

“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.