SCHEMBL5761189

SCHEMBL5761189

O=C(O)c1ccnc2c(C(F)(F)F)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
KDM4E B2RXH2 4/20 0.62
KDM4A O75164 2/20 0.62
EGLN1 Q9GZT9 2/20 0.62
RAB9A P51151 1/20 0.62
HIF1AN Q9NWT6 1/20 0.62
PSMD14 O00487 2/20 0.59
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
KDM6B O15054 1/20 0.50
KDM6A O15550 1/20 0.50
TET3 O43151 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5C P41229 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
TET2 Q6N021 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
TET1 Q8NFU7 1/20 0.50
FTO Q9C0B1 1/20 0.50
KDM4C Q9H3R0 1/20 0.50

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
SCHEMBL30744764 0.88 KDM4E (0.62) L3MBTL1KDM4EKDM4AEGLN1RAB9A
SCHEMBL22492328 0.84 PSMD14 (0.64) L3MBTL1KDM4EKDM4AEGLN1RAB9A
SCHEMBL3501677 0.80 TAS2R14 (0.63) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL69905 0.80 KDM4E (0.74) L3MBTL1KDM4EKDM4AEGLN1RAB9A
SCHEMBL10957645 0.79 TAS2R14 (0.62) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL10957630 0.79 TAS2R14 (0.62) GSK3AGSK3BDYRK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL11252208 0.79 TAS2R14 (0.62) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL1125190 0.79 NR1H2 (0.57) NR1H2NR1H3GSK3AGSK3BDYRK3
SCHEMBL7373143 0.79 KDM4E (0.68) L3MBTL1KDM4EKDM4AEGLN1RAB9A
SCHEMBL5761539 0.79 KDM4E (0.68) L3MBTL1KDM4EKDM4AEGLN1RAB9A

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
CN-1835944-A Quinolyl amide derivatives as CCR-5 antagonists SCHERING AG (DE) 2006-09-20 CN disclosed
EP-1633737-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
US-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
WO-2004113323-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
US-4970214-A DIABETIC COMPLICATIONS NIPPON SHINYAKU CO., LTD. (JP) 1990-11-13 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-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists CCRL2, CCR5, CCR1 L3MBTL1 3148/4885KDM4E 2423/4885KDM4A 3225/4885

“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.