SCHEMBL3274517

SCHEMBL3274517

Cn1c(CNC(=O)c2ccccc2C(F)(F)F)nc(-c2ccncn2)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
GRK2 P25098 3/20 0.48
RECQL P46063 1/20 0.45
PRKCA P17252 2/20 0.44
LMNA P02545 1/20 0.44
PTGES O14684 6/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
GSK3B P49841 6/20 0.41
GRK3 P35626 2/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCH P24723 1/20 0.40
GRK5 P34947 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 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
SCHEMBL3275008 0.91 RECQL (0.44) ROCK2GRK2RECQLPRKCALMNA
SCHEMBL3278164 0.86 HCN1 (0.40) ROCK2GRK2GSK3BCYP2D6
SCHEMBL3273287 0.84 POLB (0.52) LMNAGSK3BCYP2D6
SCHEMBL3273306 0.83 GSK3B (0.50) ROCK2GRK2GSK3BCYP2D6
SCHEMBL3277980 0.81 NPC1 (0.42) GSK3BCYP2D6
SCHEMBL3159234 0.81 GAA (0.45) LMNAGSK3BCYP2D6
SCHEMBL3277950 0.80 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL3279276 0.80 GSK3B (0.48) ROCK2GRK2MAPK14GSK3BCYP2D6
SCHEMBL13721943 0.80 GSK3B (0.59) ROCK2GRK2RECQLPRKCAGSK3B
SCHEMBL3273879 0.80 GSK3B (0.43) GSK3BCYP2D6

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
US-8592436-B2 Arylamide pyrimidone derivatives SANOFI (FR) 2013-11-26 US claimed
EP-2148866-B1 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-17 EP claimed
US-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-08 US claimed
EP-2148866-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-02-03 EP claimed
WO-2008155669-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO claimed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed
US-8592436-B2 Arylamide pyrimidone derivatives SANOFI (FR) 2013-11-26 US disclosed
EP-2148866-B1 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-17 EP disclosed
US-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
EP-2148866-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008155669-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP 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-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, XDH, HPRT1 ROCK2 3668/4885GRK2 3223/4885RECQL 337/4885

“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.