SCHEMBL2799415

SCHEMBL2799415

COc1ccc(CNc2cc(N3CCN(C)CC3)cc(F)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.63
HRH1 P35367 4/20 0.59
HRH3 Q9Y5N1 1/20 0.51
CCND3 P30281 1/20 0.51
CDK6 Q00534 1/20 0.51
CDK2 P24941 2/20 0.48
CDC7 O00311 1/20 0.48
DAPK3 O43293 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
PIM1 P11309 1/20 0.48
PRKACA P17612 1/20 0.48
FLT3 P36888 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3B P49841 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL2797524 0.87 HRH4 (0.64) HRH4HRH1HRH3CCND3CDK6
SCHEMBL2799938 0.81 HRH4 (0.57) HRH4HRH1HRH3CCND3CDK6
SCHEMBL502098 0.74 DYRK1A (0.52) HRH4CDK2CDC7DAPK3ROCK2
SCHEMBL501215 0.74 DYRK1A (0.52) HRH4CDK2CDC7DAPK3ROCK2
SCHEMBL23860785 0.74 ENPP2 (0.52) HRH4HRH1
SCHEMBL23860820 0.74 SIGMAR1 (0.56) HRH4HRH1POLB
SCHEMBL23860826 0.74 HRH4 (0.48) HRH4HRH1CCND3CDK6RAB9A
SCHEMBL30133438 0.74 ENPP2 (0.52) HRH4HRH1
SCHEMBL30133437 0.74 ENPP2 (0.52) HRH4HRH1
SCHEMBL17602164 0.74 JAK2 (0.63) HRH4HRH1CCND3CDK6JAK2

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-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-01 US claimed
EP-2144877-A1 NOVEL PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma, S.A. (BE) 2010-01-20 EP claimed
WO-2008122378-A1 NOVEL PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-10-16 WO claimed
US-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-01 US disclosed
EP-2144877-A1 NOVEL PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma, S.A. (BE) 2010-01-20 EP disclosed
WO-2008122378-A1 NOVEL PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-10-16 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-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof CYP4B1, CYP3A4, CYP2C19 HRH4 240/4885HRH1 281/4885HRH3 647/4885

“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.