SCHEMBL7608933

SCHEMBL7608933

COc1c(C(=O)Nc2cccnc2)n(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
POLB P06746 1/20 0.47
RHEB Q15382 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
LRRK2 Q5S007 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43

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 0.88 LRRK2 (0.55) CYP11B1CYP11B2POLBLRRK2MEN1
SCHEMBL7612625 0.88 SGMS2 (0.50) RHEBLRRK2LMNAMEN1KMT2A
SCHEMBL7606069 0.87 HDAC6 (0.53) CYP11B1CYP11B2POLBLRRK2HDAC2
SCHEMBL7606054 0.86 PDE4A (0.47) CYP11B1CYP11B2RHEBPDE4APDE4B
SCHEMBL7611336 0.81 LRRK2 (0.55) POLBRHEBLRRK2MEN1KMT2A
SCHEMBL7607089 0.79 LRRK2 (0.52) CYP11B1CYP11B2POLBRHEBLRRK2
SCHEMBL7608461 0.79 LRRK2 (0.59) CYP11B1CYP11B2POLBRHEBLRRK2
SCHEMBL7607146 0.78 LRRK2 (0.50) CYP11B1CYP11B2POLBRHEBLRRK2
SCHEMBL7606217 0.78 LRRK2 (0.50) CYP11B1CYP11B2POLBRHEBLRRK2
SCHEMBL7613476 0.77 HDAC1 (0.49) POLBRHEBLRRK2KDM4ELMNA

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 2 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 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 CCR2 3814/4885CYP11B1 174/4885CYP11B2 234/4885

“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.