SCHEMBL6889570

SCHEMBL6889570

CN1CCC(N2CCC(C(F)(F)F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A5 Q9Y345 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NCF1 P14598 1/20 0.31
MCHR1 Q99705 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL178803 0.87 NCF1 (0.39) ALDH1A1NCF1
SCHEMBL10819364 0.83 ALDH1A1 (0.42) ALDH1A1IRAK4L3MBTL3L3MBTL1MEN1
SCHEMBL6926895 0.83 ALDH1A1 (0.42) ALDH1A1IRAK4L3MBTL3L3MBTL1MEN1
SCHEMBL6924587 0.83 ALDH1A1 (0.42) ALDH1A1IRAK4L3MBTL3L3MBTL1MEN1
SCHEMBL24185791 0.81 OPRL1 (0.38) ALDH1A1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL107432 0.81 OPRL1 (0.38) ALDH1A1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL22179236 0.79 KDM4E (0.39) ALDH1A1IRAK4MEN1KMT2AJAK2
SCHEMBL15038219 0.78 ATM (0.36) ALDH1A1L3MBTL1NCF1GAASMN1; SMN2
SCHEMBL25949258 0.78 ATM (0.36) ALDH1A1L3MBTL1NCF1GAASMN1; SMN2
SCHEMBL15806955 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL3L3MBTL1SLC6A5NCF1

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
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
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
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 2432/4885IRAK4 556/4885L3MBTL3 3732/4885

“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.