SCHEMBL17153249

SCHEMBL17153249

CNCCCN(C)c1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
EPHB4 P54760 1/20 0.46
ABL1 P00519 6/20 0.43
BCR P11274 4/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
MTOR P42345 2/20 0.43
SMG1 Q96Q15 2/20 0.43
NPC1 O15118 1/20 0.43
CCNT1 O60563 1/20 0.43
MAPT P10636 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
XBP1 P17861 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL17153234 0.89 CDC7 (0.40) CDC7CDK19ABL1BCRCDK1
SCHEMBL17153235 0.88 CDC7 (0.44) CDC7CDK19ABL1BCRCDK1
SCHEMBL17153055 0.87 CDC7 (0.46) CDC7CDK19EPHB4ABL1BCR
SCHEMBL17153026 0.86 CDC7 (0.44) CDC7CDK19EPHB4ABL1BCR
SCHEMBL17153041 0.85 CDK19 (0.41) CDC7CDK19ABL1BCRCDK5
SCHEMBL18412537 0.84 JAK2 (0.52) CDC7CDK19ABL1BCRJAK2
SCHEMBL17153054 0.84 CDK19 (0.43) CDC7CDK19EPHB4ABL1BCR
SCHEMBL17153029 0.84 JAK2 (0.51) CDC7CDK19ABL1BCRJAK2
SCHEMBL17153061 0.83 ABL1 (0.51) CDC7CDK19ABL1BCRJAK2
SCHEMBL12921668 0.82 ZAP70 (0.43) CDC7CDK19ABL1BCRCDK2

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 979/4885EPHB4 900/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 CDC7 1539/4885CDK19 979/4885EPHB4 900/4885

“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.