SCHEMBL3463767

SCHEMBL3463767

Cc1ccc2c(Br)ccc(O[Si](C)(C)C(C)(C)C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
NQO2 P16083 2/20 0.32
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
PDE4B Q07343 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
MAPT P10636 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
SCHEMBL7253918 0.81 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL681786 0.79 NQO2 (0.50) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL1966328 0.78 CCR1 (0.44) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL3462635 0.77 HIPK2 (0.37) RAB9ALMNAPDE4B
SCHEMBL24810080 0.76 HASPIN (0.33)
SCHEMBL7362134 0.76 KDM4E (0.32) KMT2AKDM4ELMNAHTTMEN1
SCHEMBL30862165 0.76 HASPIN (0.33)
SCHEMBL15180209 0.76 KMT2A (0.47) KMT2AKDM4ELMNAHTTMEN1
SCHEMBL29862928 0.76 KMT2A (0.47) KMT2AKDM4ELMNAHTTMEN1
SCHEMBL28403258 0.75 CA12 (0.36) CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
EP-1979437-B1 ORGANOMETALLIC COMPLEXES DU PONT (US) 2013-04-10 EP disclosed
US-20100264380-A1 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
EP-1979437-A2 ORGANOMETALLIC COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-15 EP disclosed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
WO-2007087223-A2 ORGANOMETALLIC COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-02 WO 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 (3 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 CCR1 27/4885RAB9A 1780/4885CCR5 385/4885
US-20020183358-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 CCR1 27/4885RAB9A 1780/4885CCR5 385/4885
US-20100264380-A1 Organometallic complexes GSTO1, CYP4F12, CYP4F3 CCR1 4212/4885RAB9A 2712/4885CCR5 3618/4885

“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.