SCHEMBL4042060

SCHEMBL4042060

C=Cc1cc(Br)c2ncccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.41
CCR8 P51685 4/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
HSP90AA1 P07900 2/20 0.41
CCR5 P51681 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 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
SCHEMBL4037328 0.83 ERN1 (0.42) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL7437849 0.80 MEN1 (0.43) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL23928250 0.79 KDM4E (0.53) HTTSMN1; SMN2KDM4EMAPTTDP1
SCHEMBL13849038 0.79 CCR1 (0.50) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL23196116 0.79 CCR1 (0.50) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL7437842 0.76 LMNA (0.44) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL2582442 0.74 CCR1 (0.46) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL31276857 0.74 CCR1 (0.46) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL15007502 0.73 KDM4E (0.48) CCR1CCR8HTTSMN1; SMN2KDM4E
SCHEMBL3569578 0.73 CCR1 (0.50) CCR1CCR8HTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 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 (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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C CCR1 3117/4885CCR8 812/4885HTT 3504/4885

“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.