SCHEMBL2299734

SCHEMBL2299734

O=C1CC(O)=Nc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
TDP2 O95551 2/20 0.38
NSD2 O96028 2/20 0.38
PAX8 Q06710 2/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 0.38
RIN1 Q13671 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
CDC25B P30305 4/20 0.35
S100A4 P26447 3/20 0.35
PTPRC P08575 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL9694568 0.79 GAA (0.38) CCNA2CDK2TDP2NSD2PAX8
SCHEMBL5093999 0.79 TDP2 (0.38) CCNA2CDK2TDP2NSD2PAX8
SCHEMBL2822167 0.75 PDCD1 (0.40) CCNA2CDK2TDP2NSD2PAX8
SCHEMBL18485263 0.75 TDP2 (0.35) CCNA2CDK2TDP2NSD2PAX8
SCHEMBL6667756 0.72 ALDH1A1 (0.46) CCNA2CDK2TDP2CES1MEN1
SCHEMBL2363208 0.71 CHEK1 (0.36) CCNA2CDK2TDP2NSD2PAX8
SCHEMBL18471620 0.71 TDP2 (0.33) CCNA2CDK2TDP2NSD2PAX8
SCHEMBL331804 0.69 TDP2 (0.43) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL7913644 0.69 TDP1 (0.39) TDP1CDC25BS100A4
SCHEMBL9963984 0.68 PTPRC (0.46) TDP2NSD2PAX8ABL1PLCG1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-8614226-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2013-12-24 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 EP disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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 (3 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D CCNA2 183/4885CDK2 668/4885TDP2 2939/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D CCNA2 183/4885CDK2 668/4885TDP2 2939/4885
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D CCNA2 206/4885CDK2 254/4885TDP2 3024/4885

“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.