SCHEMBL2228868

SCHEMBL2228868

COc1cc(CCN2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
HRH3 Q9Y5N1 3/20 0.56
SIGMAR1 Q99720 4/20 0.53
KCNJ1 P48048 2/20 0.52
KCNH2 Q12809 2/20 0.52
SIRT6 Q8N6T7 1/20 0.52
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
EBP Q15125 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL309827 0.91 SIRT6 (0.61) ALDH1A1LMNASIGMAR1KCNJ1KCNH2
SCHEMBL18159251 0.88 HRH3 (0.55) ALDH1A1LMNAHRH3SIGMAR1KCNJ1
SCHEMBL12492402 0.86 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL10290236 0.85 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL3806931 0.80 SIRT6 (0.49) ALDH1A1LMNASIGMAR1KCNJ1KCNH2
SCHEMBL378448 0.80 SIRT6 (0.56) ALDH1A1LMNAHRH3SIGMAR1KCNJ1
SCHEMBL1964818 0.80 KDM4E (0.66) ALDH1A1LMNAHRH3SIRT6MEN1
SCHEMBL30019164 0.79 SIRT6 (0.62) ALDH1A1LMNASIRT6HTR1AMEN1
SCHEMBL10291110 0.79 SIRT6 (0.62) ALDH1A1LMNASIRT6HTR1AMEN1
SCHEMBL8867650 0.79 ALDH1A1 (0.50) ALDH1A1LMNASIRT6GAASMN1; SMN2

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 9 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 claimed
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 claimed
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 claimed
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 ALDH1A1 2432/4885LMNA 3125/4885HRH3 3829/4885

“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.