SCHEMBL17153243

SCHEMBL17153243

CNCCCN(C)c1ccc(-c2ccnc(Nc3ccnc(CN4CCN(CC(=O)O)CC4)c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
ACVR1 Q04771 2/20 0.40
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
SYK P43405 3/20 0.39
NR4A1 P22736 2/20 0.39
PDGFRB P09619 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
JAK2 O60674 8/20 0.38
JAK3 P52333 5/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KIT P10721 1/20 0.38
ZAP70 P43403 1/20 0.37
CAMK2D Q13557 1/20 0.37
FLT3 P36888 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
SCHEMBL17153029 0.90 JAK2 (0.51) CDC7CDK19ACVR1ABL1BCR
SCHEMBL17153219 0.90 ACVR1 (0.39) CDC7CDK19ACVR1ABL1BCR
SCHEMBL17153019 0.89 ACVR1 (0.39) CDC7CDK19ACVR1ABL1BCR
SCHEMBL18412516 0.89 ACVR1 (0.39) CDC7CDK19ACVR1ABL1BCR
SCHEMBL17153105 0.89 ABL1 (0.41) CDK19ACVR1ABL1BCRSYK
SCHEMBL17153022 0.88 JAK2 (0.52) CDC7CDK19ACVR1ABL1BCR
SCHEMBL17152964 0.88 KDR (0.47) CDK19ACVR1ABL1BCRSYK
SCHEMBL18412513 0.88 JAK2 (0.50) CDC7CDK19ACVR1ABL1BCR
SCHEMBL17152959 0.87 STAT6 (0.43) CDC7CDK19ACVR1ABL1BCR
SCHEMBL18412552 0.87 JAK2 (0.49) CDC7CDK19ACVR1ABL1BCR

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 CDC7 1539/4885CDK19 979/4885ACVR1 4692/4885

“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.