SCHEMBL17153113

SCHEMBL17153113

CN(CCCNc1ccc(-c2ccnc(Nc3cccc(CO)c3)n2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.45
CDK2 P24941 2/20 0.45
MTOR P42345 2/20 0.45
SMG1 Q96Q15 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
CCNT1 O60563 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
XBP1 P17861 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
HTT P42858 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
RAB9A P51151 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45

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
SCHEMBL17153168 0.89 PRKCA (0.43) CDK1CDK2MTORSMG1MAPT
SCHEMBL17152801 0.88 CDC7 (0.43) CDC7CDK19PRKCAPRKCDABL1
SCHEMBL17153054 0.87 CDK19 (0.43) CDC7CDK19PRKCAPRKCDABL1
SCHEMBL17153069 0.87 EGFR (0.46) CDK1CDK2MTORSMG1MAPT
SCHEMBL17153127 0.86 CDC7 (0.41) CDC7CDK19PRKCAPRKCDEGFR
SCHEMBL17152844 0.86 PRKCA (0.44) CDK1CDK2MTORSMG1MAPT
SCHEMBL17152976 0.86 PRKCA (0.44) CDK1CDK2MTORSMG1MAPT
SCHEMBL17153115 0.85 CDK19 (0.44) CDC7CDK19PRKCAPRKCDABL1
SCHEMBL17153025 0.85 EGFR (0.47) CDK1CDK2MTORSMG1MAPT
SCHEMBL17153005 0.83 BTK (0.41) PRKCAPRKCDEGFRPRKD3PRKCG

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 CDK1 1068/4885CDK2 227/4885MTOR 1423/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 CDK1 1068/4885CDK2 227/4885MTOR 1423/4885

“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.