SCHEMBL2229674

SCHEMBL2229674

COc1cc(C2=CCN(CCC(F)(F)F)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
QDPR P09417 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
TMEM97 Q5BJF2 4/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABCB1 P08183 2/20 0.38
CHEK1 O14757 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL310018 0.89 SUV39H2 (0.47) SIGMAR1QDPRSIRT6TMEM97ATM
SCHEMBL311532 0.87 SIGMAR1 (0.48) SIGMAR1QDPRSIRT6ATMLMNA
SCHEMBL310961 0.82 ALDH1A1 (0.44) SIGMAR1QDPRSIRT6ATMLMNA
SCHEMBL15993325 0.81 QDPR (0.63) QDPRSIRT6LMNAALDH1A1CHEK1
SCHEMBL12429007 0.81 ALDH1A1 (0.43) SIGMAR1QDPRSIRT6ATMLMNA
SCHEMBL521978 0.80 SUV39H2 (0.49) SIGMAR1QDPRSIRT6ATMLMNA
SCHEMBL9959164 0.80 SIGMAR1 (0.43) SIGMAR1
SCHEMBL521648 0.79 CDK9 (0.47) SIGMAR1QDPRSIRT6ATMLMNA
SCHEMBL20516333 0.79 QDPR (0.54) QDPRSIRT6LMNAALDH1A1ABCB1
SCHEMBL310874 0.78 MAPT (0.49) SIGMAR1QDPRLMNAALDH1A1MEN1

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-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-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 SIGMAR1 3692/4885QDPR 385/4885SIRT6 1832/4885

“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.