SCHEMBL6063395

SCHEMBL6063395

COc1ccc(C(=O)NC2CCC(NC(=O)c3cccnc3Oc3cccc(F)c3)CC2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.50
CNR2 P34972 4/20 0.50
AURKA O14965 2/20 0.48
MET P08581 2/20 0.48
KDR P35968 2/20 0.48
TEK Q02763 2/20 0.48
PDE4B Q07343 3/20 0.47
PDE4D Q08499 2/20 0.47
PDE4A P27815 1/20 0.47
MAPK8 P45983 1/20 0.45
AURKB Q96GD4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL5841178 0.88 AURKA (0.47) CNR1CNR2AURKAMETKDR
SCHEMBL6064076 0.82 PDE4A (0.56) CNR1CNR2PDE4BPDE4DPDE4A
SCHEMBL6063388 0.82 PDE4B (0.66) PDE4BPDE4DPDE4ACYP2C19
SCHEMBL5750924 0.80 PDE4B (0.56) PDE4BPDE4DPDE4ACYP2C19ITK
SCHEMBL6062960 0.80 AURKA (0.48) CNR1CNR2AURKAMETKDR
SCHEMBL6063263 0.80 CNR1 (0.58) CNR1CNR2PDE4BPDE4DPDE4A
SCHEMBL5747125 0.78 TAS1R3 (0.50) CNR1CNR2KDRPDE4BPDE4D
SCHEMBL4218063 0.78 RAB9A (0.63) CNR1CNR2PDE4DPDE4AKDM4E
SCHEMBL5840316 0.77 CNR2 (0.48) CNR1CNR2PDE4BPDE4DPDE4A
SCHEMBL6063788 0.76 CNR1 (0.53) CNR1CNR2PDE4BPDE4DPDE4A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060717-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-13 US disclosed
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US disclosed
US-6949573-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2005-09-27 US disclosed
EP-1476158-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases PFIZER INC. 2003-11-27 US disclosed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 US disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 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 (4 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-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CNR1 1648/4885CNR2 1090/4885AURKA 3656/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 CNR1 576/4885CNR2 284/4885AURKA 2438/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CNR1 1648/4885CNR2 1090/4885AURKA 3656/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CNR1 1648/4885CNR2 1090/4885AURKA 3656/4885

“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.