SCHEMBL1463030

SCHEMBL1463030

COC(=O)C=Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2nnn[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HDAC3 O15379 7/20 0.39
HDAC4 P56524 7/20 0.39
HDAC1 Q13547 7/20 0.39
HDAC7 Q8WUI4 7/20 0.39
HDAC2 Q92769 7/20 0.39
HDAC10 Q969S8 7/20 0.39
HDAC11 Q96DB2 7/20 0.39
HDAC8 Q9BY41 7/20 0.39
HDAC6 Q9UBN7 7/20 0.39
HDAC9 Q9UKV0 7/20 0.39
HDAC5 Q9UQL6 7/20 0.39
KDR P35968 1/20 0.38
MAPT P10636 3/20 0.37

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
SCHEMBL1464163 0.89 AURKA (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3584115 0.80 PSEN1 (0.45) GSK3BKDRMAPTKDM4ERAF1
Emidurdar SCHEMBL1463101 0.80 KCNMA1 (0.54) KDRMAPTALDH1A1LMNATRPV1
SCHEMBL1463472 0.80 GRIK1 (0.47) KDRMAPTTRPV1MEN1KMT2A
Emidurdar SCHEMBL30845296 0.80 KCNMA1 (0.54) KDRMAPTALDH1A1LMNATRPV1
SCHEMBL3579491 0.79 PSEN1 (0.47) KDRMAPTTRPV1RAF1KCNMA1
SCHEMBL1463031 0.79 HTR2A (0.37) KDRMAPTTRPV1HTR2AHTR2C
SCHEMBL3580763 0.78 PSEN1 (0.45) KDRMAPTTRPV1RAF1KCNMA1
SCHEMBL3574142 0.77 PSEN1 (0.44) KDRTRPV1MEN1KMT2ARAF1
SCHEMBL3570022 0.77 KDR (0.45) KDRMAPTTRPV1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP claimed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US claimed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO claimed
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS OLESEN SOEREN PETER 2011-03-24 US disclosed
US-7851492-B2 ERG channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP disclosed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US disclosed
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP disclosed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO disclosed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 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-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias KCNJ2, KCNN3, KCNE1 CCNB2 4573/4885CDK1 3639/4885CCNB1 4626/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 CCNB2 4573/4885CDK1 3639/4885CCNB1 4626/4885

“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.