SCHEMBL2226683

SCHEMBL2226683

COc1cc(N2CCN(C(=O)O)CC2)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
SIRT6 Q8N6T7 1/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
ADAMTS5 Q9UNA0 4/20 0.40
ADAMTS4 O75173 3/20 0.40
CCR1 P32246 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2226687 1.00 KDM4E (0.47) KDM4ESIRT6KMT2AALDH1A1MAPT
SCHEMBL22684135 0.80 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL2229043 0.80 ADAMTS5 (0.42) KMT2AMEN1ADAMTS5ADAMTS4CCR1
SCHEMBL12479736 0.78 SIRT6 (0.72) KDM4ESIRT6KMT2AALDH1A1MAPT
SCHEMBL12479741 0.78 SIRT6 (0.72) KDM4ESIRT6KMT2AALDH1A1MAPT
SCHEMBL5396736 0.76 ALDH1A1 (0.52) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL11350437 0.73 NPSR1 (0.52) SIRT6KMT2AALDH1A1MAPTMEN1
SCHEMBL20139830 0.72 HTT (0.45) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL1675837 0.72 HTT (0.53) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL30087222 0.72 HTT (0.53) KDM4EKMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 US disclosed
EP-2521726-B1 5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASES INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SANOFI SA (FR) 2013-12-18 EP disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 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-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 KDM4E 2091/4885SIRT6 1832/4885KMT2A 3374/4885

“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.