SCHEMBL2200071

SCHEMBL2200071

CCOC(=O)c1c(C)nn(-c2cccc(Cl)c2)c1C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.74
ALDH1A1 P00352 4/20 0.72
PDE4B Q07343 2/20 0.69
P2RY12 Q9H244 1/20 0.63
HTT P42858 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
MCL1 Q07820 1/20 0.53
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL6070622 0.88 PDE4D (0.76) PDE4DALDH1A1PDE4BP2RY12RAB9A
SCHEMBL6070321 0.87 PDE4D (0.77) PDE4DALDH1A1PDE4BP2RY12MEN1
SCHEMBL6069484 0.86 PDE4D (0.72) PDE4DALDH1A1PDE4BP2RY12MEN1
SCHEMBL6070540 0.86 PDE4D (0.72) PDE4DALDH1A1PDE4BP2RY12RAB9A
SCHEMBL6070211 0.86 PDE4D (0.73) PDE4DALDH1A1PDE4BP2RY12SMN1; SMN2
SCHEMBL8341970 0.85 P2RY12 (0.82) PDE4DALDH1A1PDE4BP2RY12KMT2A
SCHEMBL6069548 0.85 PDE4D (1.00) PDE4DALDH1A1PDE4BP2RY12RAB9A
SCHEMBL20502220 0.85 PDE4D (0.74) PDE4DALDH1A1PDE4BP2RY12MEN1
SCHEMBL2199198 0.85 PDE4D (0.67) PDE4DALDH1A1PDE4BP2RY12HTT
SCHEMBL2201286 0.83 PDE4D (0.67) PDE4DALDH1A1PDE4BP2RY12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US claimed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US claimed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US 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 (2 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4D 5/4885ALDH1A1 1208/4885PDE4B 2/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 PDE4D 814/4885ALDH1A1 1476/4885PDE4B 607/4885

“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.