SCHEMBL4701309

SCHEMBL4701309

Cc1ccc2c(Br)ccc(OC(F)F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 5/20 0.36
CCR1 P32246 1/20 0.34
RAB9A P51151 1/20 0.34
CCR5 P51681 1/20 0.34
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NQO2 P16083 2/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL681786 0.80 NQO2 (0.50) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL18149090 0.80 MBOAT4 (0.43) MBOAT4CCR1RAB9ACCR5KMT2A
SCHEMBL7254035 0.79 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL4701753 0.77 PDE4B (0.43) RAB9AKMT2AOPRK1HTTKDM4E
SCHEMBL3463767 0.74 CCR1 (0.33) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL4701276 0.73 KMT2A (0.50) KMT2AHTTKDM4ELMNAMEN1
SCHEMBL31556365 0.73 CCR1 (0.41) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL19851268 0.73 MBOAT4 (0.43) MBOAT4CCR1RAB9ACCR5
SCHEMBL30168445 0.73 MBOAT4 (0.43) MBOAT4CCR1RAB9ACCR5
SCHEMBL12416583 0.73 CCR1 (0.41) CCR1RAB9ACCR5KMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
US-6642254-B2 Administering compounds, e.g., 8-methoxy-2-trifluoromethylquinoline-5-carboxylic acid (3,5-dichloro-1-oxypyridin-4-yl)amide for therapy of disease state that is capable of being modulated by inhibition of phosphodiesterase DARWIN DISCOVERY, LTD. (GB) 2003-11-04 US disclosed
US-20020183358-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-12-05 US disclosed
US-6410559-B2 3,5-DISUBSTITUTED-(OXYPYRIDINE-4-YL)AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITOR TO TREAT INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE DARWIN DISCOVERY, LTD. (GB) 2002-06-25 US disclosed
US-20010025049-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2001-09-27 US disclosed
US-6262070-B1 E.G., 8-METHOXY-2-TRIFLUOROMETHYLQUINOLINE-5-CARBOXYLIC ACID(3,5-DICHLORO-1-OXYPYRIDIN-4-YL)AMIDE; TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAYS DISEASE DARWIN DISCOVERY LTD. (GB) 2001-07-17 US disclosed
EP-1045845-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY Darwin Discovery Limited (GB) 2000-10-25 EP disclosed
WO-2000026208-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2000-05-11 WO disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 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 (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-20010025049-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 MBOAT4 4302/4885CCR1 27/4885RAB9A 1780/4885
US-20020183358-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 MBOAT4 4302/4885CCR1 27/4885RAB9A 1780/4885

“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.