SCHEMBL62418

SCHEMBL62418

N#Cc1ccc[nH]1.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
AR P10275 1/20 0.32
ENPP2 Q13822 2/20 0.31
DAO P14920 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL62419 0.91 MCL1 (0.42) MCL1AR
Boric Acid SCHEMBL78960 0.91 MCL1 (0.42) MCL1ARENPP2DAOHDAC8
Hydrochloric Acid SCHEMBL5108516 0.89
SCHEMBL61388 0.87
SCHEMBL4806613 0.87 MCL1 (0.48) MCL1DAOHDAC8HDAC6
SCHEMBL89220 0.85
SCHEMBL27664732 0.84
SCHEMBL61612 0.83 MCL1 (0.42) MCL1ARDAOHDAC8HDAC6
Pyrrole SCHEMBL28148019 0.78 MCL1 (0.42) MCL1
Pyrrole SCHEMBL28148018 0.78 MCL1 (0.42) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS WYETH (US) 2009-02-26 US claimed
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH (US) 2005-12-08 US claimed
US-8129523-B2 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH LLC (US) 2012-03-06 US disclosed
US-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS WYETH (US) 2009-02-26 US disclosed
US-7446211-B2 Reacting 1-methylpyrrole-2-carbonitrile with triisopropylborate in presence of lithium diisopropyl amine to produce (5-cyano-1-methyl-1H-pyrrol-2-yl) boronic acid WYETH (US) 2008-11-04 US disclosed
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH (US) 2005-12-08 US disclosed
WO-2005105817-A2 COUPLING PROCESS FOR GENERATING REACTIVE BORON­ CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2­ CARBONITRILES TO PRODUCE BIARYLS WYETH (US) 2005-11-10 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 (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-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS BOLA2; BOLA2B, BRI3BP, BROX MCL1 2502/4885AR 3276/4885ENPP2 2643/4885
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls BOLA2; BOLA2B, BRI3BP, BROX MCL1 2502/4885AR 3276/4885ENPP2 2643/4885

“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.