SCHEMBL544917

SCHEMBL544917

Nc1cc2cccnc2c2c1ncn2N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
CCR5 P51681 2/20 0.39
CASP6 P55212 2/20 0.39
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39
HSP90AA1 P07900 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP2 P08253 2/20 0.38
GMNN O75496 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 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
SCHEMBL14122788 0.80 CCR1 (0.36) CCR1CCR8CCR5CASP6PSMD14
SCHEMBL487383 0.76 TLR7 (0.50) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL4299811 0.74 TLR7 (0.42) CCR1CCR8CCR5HSP90AA1KDM4E
SCHEMBL4704097 0.73 LMNA (0.50) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL2478261 0.70 PSMD14 (0.62) CCR1CCR8CCR5CASP6PSMD14
SCHEMBL7548538 0.70 KDM4E (0.52) CCR1CCR8CCR5CASP6PSMD14
SCHEMBL4953265 0.69 ALDH1A1 (0.32) HSP90AA1HSP90AB1L3MBTL1IDO1PSMB5
SCHEMBL2471617 0.68 SLC40A1 (0.47) CCR1CCR8CCR5CASP6PSMD14
SCHEMBL139256 0.68 CCR1 (0.61) CCR1CCR8CCR5CASP6HSP90AA1
SCHEMBL16550189 0.67 ALDH1A1 (0.62) CCR1CCR8CCR5CASP6HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167479-A1 Immune response modifier formulations and methods BAUSCH HEALTH COMPANIES INC. (CA) 2007-07-19 US claimed
EP-1729768-A2 IMMUNE RESPONSE MODIFIER FORMULATIONS AND METHODS 3M Innovative Properties Company (US) 2006-12-13 EP claimed
WO-2005089317-A2 IMMUNE RESPONSE MODIFIER FORMULATIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-29 WO claimed
EP-1729768-B1 IMMUNE RESPONSE MODIFIER FORMULATIONS AND METHODS MEDA AB (SE) 2018-01-10 EP disclosed
US-8110582-B2 by administering immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-07 US disclosed
US-20070167479-A1 Immune response modifier formulations and methods BAUSCH HEALTH COMPANIES INC. (CA) 2007-07-19 US disclosed
EP-1729768-A2 IMMUNE RESPONSE MODIFIER FORMULATIONS AND METHODS 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
EP-1601365-A2 PROPHYLACTIC TREATMENT OF UV-INDUCED EPIDERMAL NEOPLASIA 3M Innovative Properties Company (US) 2005-12-07 EP disclosed
WO-2005089317-A2 IMMUNE RESPONSE MODIFIER FORMULATIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-29 WO disclosed
WO-2004078138-A2 PROPHYLACTIC TREATMENT OF UV-INDUCED EPIDERMAL NEOPLASIA 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-16 WO disclosed
US-20040175336-A1 Prophylactic treatment of UV-induced epidermal neoplasia 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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-20070167479-A1 Immune response modifier formulations and methods IFNG, TLR5, ICOS CCR1 722/4885CCR8 741/4885CCR5 946/4885

“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.