SCHEMBL7606054

SCHEMBL7606054

O=C(Nc1cccnc1)c1c(OCC2CC2)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LRRK2 Q5S007 4/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
ACHE P22303 3/20 0.42
GSK3B P49841 3/20 0.42
BCHE P06276 1/20 0.42
RHEB Q15382 1/20 0.42
SGMS2 Q8NHU3 4/20 0.41
SRPK3 Q9UPE1 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL7606181 0.87 LRRK2 (0.55) CYP11B1CYP11B2LRRK2SGMS2SRPK3
SCHEMBL7606069 0.86 HDAC6 (0.53) CYP11B1CYP11B2LRRK2SGMS2SRPK3
SCHEMBL7608933 0.86 CCR2 (0.48) PDE4APDE4BPDE4CPDE4DCYP11B1
SCHEMBL7612625 0.81 SGMS2 (0.50) LRRK2RHEBSGMS2SRPK3LMNA
SCHEMBL7611336 0.78 LRRK2 (0.55) LRRK2RHEBSGMS2MEN1KMT2A
SCHEMBL7607089 0.78 LRRK2 (0.52) CYP11B1CYP11B2LRRK2RHEBSGMS2
SCHEMBL7608461 0.78 LRRK2 (0.59) CYP11B1CYP11B2LRRK2RHEBSGMS2
SCHEMBL7613476 0.77 HDAC1 (0.49) LRRK2RHEBSGMS2KDM4ELMNA
SCHEMBL7609787 0.76 HDAC1 (0.53) KDM4ELMNAHTTALDH1A1MEN1
SCHEMBL7606217 0.75 LRRK2 (0.50) CYP11B1CYP11B2LRRK2RHEBSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US claimed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 US claimed
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US disclosed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 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 (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-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment PDE3A, PDE3B, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4C 7/4885

“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.