SCHEMBL4040537

SCHEMBL4040537

CSc1cccc(-c2cc(C(C)C)cc3cccnc23)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.53
PDE4B Q07343 13/20 0.53
PDE4D Q08499 13/20 0.53
PDE4C Q08493 12/20 0.53
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4037185 0.83 PDE4A (0.55) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL5257490 0.83 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CCYP2C9
SCHEMBL7448426 0.82 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL6989316 0.82 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CCYP2C9
SCHEMBL4037497 0.82 PDE4A (0.57) PDE4APDE4BPDE4DPDE4C
SCHEMBL4039851 0.82 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CCYP2C9
SCHEMBL4041242 0.81 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL4037954 0.81 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL4037435 0.81 PDE4A (0.52) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL4039783 0.79 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CCYP2C9

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-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 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 (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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4D 5/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS PDE4A 4658/4885PDE4B 4639/4885PDE4D 4695/4885

“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.